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23417-29-0,MFCD00087075
Catalog No.:AA00BJPB

23417-29-0 | 6-Methyl-3h-benzooxazole-2-thione

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
98%
in stock  
$12.00   $8.00
- +
250mg
98%
in stock  
$17.00   $12.00
- +
1g
98%
in stock  
$31.00   $22.00
- +
5g
98%
in stock  
$152.00   $106.00
- +
100g
96%
in stock  
$2,934.00 $2,054.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00BJPB
Chemical Name:
6-Methyl-3h-benzooxazole-2-thione
CAS Number:
23417-29-0
Molecular Formula:
C8H7NOS
Molecular Weight:
165.2123
MDL Number:
MFCD00087075
SMILES:
Cc1ccc2c(c1)oc(n2)S
NSC Number:
332173
Properties
Computed Properties
 
Complexity:
183  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
0  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.1  

Downstream Synthesis Route

[1]Schickaneder,Helmut;Engler,Heidrun;Szelenyi,Istvan[JournalofMedicinalChemistry,1987,vol.30,#3,p.547-551]

[1]CurrentPatentAssignee:PIERREFABREPARCIPATIONS-WO2012/69503,2012,A1Locationinpatent:Page/Pagecolumn19-20

[2]CurrentPatentAssignee:PIERREFABREPARCIPATIONS-US2013/172326,2013,A1Locationinpatent:Paragraph0089;0090

[3]Haviv;Ratajczyk;DeNet;Kerdesky;Walters;Schmidt;Holms;Young;Carter[JournalofMedicinalChemistry,1988,vol.31,#9,p.1719-1728]

[4]Yamada,Megumi;Sato,Yasuo;Kobayashi,Kazuko;Konno,Fukio;Soneda,Tomoko;Watanabe,Takashi[ChemicalandPharmaceuticalBulletin,1998,vol.46,#3,p.445-451]

[5]Sato,Yasuo;Yamada,Megumi;Yoshida,Satoshi;Soneda,Tomoko;Ishikawa,Midori;Nizato,Tetsutaro;Suzuki,Kokichi;Konno,Fukio[JournalofMedicinalChemistry,1998,vol.41,#16,p.3015-3021]

[6]CurrentPatentAssignee:SANOFI-WO2007/34251,2007,A1Locationinpatent:Page/Pagecolumn30

[7]CurrentPatentAssignee:SANOFI-WO2007/34253,2007,A1Locationinpatent:Page/Pagecolumn19-20

[1]Locationinpatent:experimentalpartDeligeorgiev,TodorG.;Kaloyanova,StefkaS.;Lesev,NedyalkoY.;Vaquero,JuanJ.[MonatsheftefurChemie,2011,vol.142,#9,p.895-899]

[2]Shibuya,Kimiyuki;Kawamine,Katsumi;Miura,Toru;Ozaki,Chiyoka;Edano,Toshiyuki;Mizuno,Ken;Yoshinaka,Yasunobu;Tsunenari,Yoshihiko[BioorganicandMedicinalChemistry,2018,vol.26,#14,p.4001-4013]

[3]Locationinpatent:experimentalpartChen,Weixuan;Huang,Ying-ju;Gundala,SushmaReddy;Yang,Hsiuchin;Li,Minyong;Tai,PhangC.;Wang,Binghe[BioorganicandMedicinalChemistry,2010,vol.18,#4,p.1617-1625]

[4]Haviv;Ratajczyk;DeNet;Kerdesky;Walters;Schmidt;Holms;Young;Carter[JournalofMedicinalChemistry,1988,vol.31,#9,p.1719-1728]

[5]CurrentPatentAssignee:SANOFI-WO2007/34251,2007,A1Locationinpatent:Page/Pagecolumn30

[6]CurrentPatentAssignee:SANOFI-WO2007/34253,2007,A1Locationinpatent:Page/Pagecolumn19

[1]CurrentPatentAssignee:PIERREFABREPARCIPATIONS-WO2012/69503,2012,A1Locationinpatent:Page/Pagecolumn18

[2]CurrentPatentAssignee:PIERREFABREPARCIPATIONS-US2013/172326,2013,A1Locationinpatent:Paragraph0077;0078

[3]Yamada,Megumi;Sato,Yasuo;Kobayashi,Kazuko;Konno,Fukio;Soneda,Tomoko;Watanabe,Takashi[ChemicalandPharmaceuticalBulletin,1998,vol.46,#3,p.445-451]

[4]Sato,Yasuo;Yamada,Megumi;Yoshida,Satoshi;Soneda,Tomoko;Ishikawa,Midori;Nizato,Tetsutaro;Suzuki,Kokichi;Konno,Fukio[JournalofMedicinalChemistry,1998,vol.41,#16,p.3015-3021]

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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SDS
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Tags:23417-29-0 Molecular Formula|23417-29-0 MDL|23417-29-0 SMILES|23417-29-0 6-Methyl-3h-benzooxazole-2-thione
Catalog No.: AA00BJPB
23417-29-0,MFCD00087075
23417-29-0 | 6-Methyl-3h-benzooxazole-2-thione
Pack Size： 100mg
Purity： 98%
in stock
$12.00 $8.00
Pack Size： 250mg
Purity： 98%
in stock
$17.00 $12.00
Pack Size： 1g
Purity： 98%
in stock
$31.00 $22.00
Pack Size： 5g
Purity： 98%
in stock
$152.00 $106.00
Pack Size： 100g
Purity： 96%
in stock
$2,934.00 $2,054.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00BJPB
Chemical Name: 6-Methyl-3h-benzooxazole-2-thione
CAS Number: 23417-29-0
Molecular Formula: C8H7NOS
Molecular Weight: 165.2123
MDL Number: MFCD00087075
SMILES: Cc1ccc2c(c1)oc(n2)S
NSC Number: 332173
Properties
Complexity: 183  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 11  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 0  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.1  
Downstream Synthesis Route
23417-29-0    6959-48-4    88594-58-5 

[1]Schickaneder,Helmut;Engler,Heidrun;Szelenyi,Istvan[JournalofMedicinalChemistry,1987,vol.30,#3,p.547-551]

23417-29-0    3621-83-8 

[1]CurrentPatentAssignee:PIERREFABREPARCIPATIONS-WO2012/69503,2012,A1Locationinpatent:Page/Pagecolumn19-20

[2]CurrentPatentAssignee:PIERREFABREPARCIPATIONS-US2013/172326,2013,A1Locationinpatent:Paragraph0089;0090

[3]Haviv;Ratajczyk;DeNet;Kerdesky;Walters;Schmidt;Holms;Young;Carter[JournalofMedicinalChemistry,1988,vol.31,#9,p.1719-1728]

[4]Yamada,Megumi;Sato,Yasuo;Kobayashi,Kazuko;Konno,Fukio;Soneda,Tomoko;Watanabe,Takashi[ChemicalandPharmaceuticalBulletin,1998,vol.46,#3,p.445-451]

[5]Sato,Yasuo;Yamada,Megumi;Yoshida,Satoshi;Soneda,Tomoko;Ishikawa,Midori;Nizato,Tetsutaro;Suzuki,Kokichi;Konno,Fukio[JournalofMedicinalChemistry,1998,vol.41,#16,p.3015-3021]

[6]CurrentPatentAssignee:SANOFI-WO2007/34251,2007,A1Locationinpatent:Page/Pagecolumn30

[7]CurrentPatentAssignee:SANOFI-WO2007/34253,2007,A1Locationinpatent:Page/Pagecolumn19-20

140-89-6    2835-98-5    23417-29-0 

[1]Locationinpatent:experimentalpartDeligeorgiev,TodorG.;Kaloyanova,StefkaS.;Lesev,NedyalkoY.;Vaquero,JuanJ.[MonatsheftefurChemie,2011,vol.142,#9,p.895-899]

[2]Shibuya,Kimiyuki;Kawamine,Katsumi;Miura,Toru;Ozaki,Chiyoka;Edano,Toshiyuki;Mizuno,Ken;Yoshinaka,Yasunobu;Tsunenari,Yoshihiko[BioorganicandMedicinalChemistry,2018,vol.26,#14,p.4001-4013]

[3]Locationinpatent:experimentalpartChen,Weixuan;Huang,Ying-ju;Gundala,SushmaReddy;Yang,Hsiuchin;Li,Minyong;Tai,PhangC.;Wang,Binghe[BioorganicandMedicinalChemistry,2010,vol.18,#4,p.1617-1625]

[4]Haviv;Ratajczyk;DeNet;Kerdesky;Walters;Schmidt;Holms;Young;Carter[JournalofMedicinalChemistry,1988,vol.31,#9,p.1719-1728]

[5]CurrentPatentAssignee:SANOFI-WO2007/34251,2007,A1Locationinpatent:Page/Pagecolumn30

[6]CurrentPatentAssignee:SANOFI-WO2007/34253,2007,A1Locationinpatent:Page/Pagecolumn19

75-15-0    2835-98-5    23417-29-0 

[1]CurrentPatentAssignee:PIERREFABREPARCIPATIONS-WO2012/69503,2012,A1Locationinpatent:Page/Pagecolumn18

[2]CurrentPatentAssignee:PIERREFABREPARCIPATIONS-US2013/172326,2013,A1Locationinpatent:Paragraph0077;0078

[3]Yamada,Megumi;Sato,Yasuo;Kobayashi,Kazuko;Konno,Fukio;Soneda,Tomoko;Watanabe,Takashi[ChemicalandPharmaceuticalBulletin,1998,vol.46,#3,p.445-451]

[4]Sato,Yasuo;Yamada,Megumi;Yoshida,Satoshi;Soneda,Tomoko;Ishikawa,Midori;Nizato,Tetsutaro;Suzuki,Kokichi;Konno,Fukio[JournalofMedicinalChemistry,1998,vol.41,#16,p.3015-3021]

Literature fold

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters20101101

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