2362-63-2,MFCD01314035
Catalog No.:AA002NV9

2362-63-2 | 3-Methylbenzenecarbothioamide

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
98%
in stock  
$9.00   $7.00
- +
1g
98%
in stock  
$16.00   $11.00
- +
5g
98%
in stock  
$74.00   $52.00
- +
25g
98%
in stock  
$253.00   $177.00
- +
100g
98%
in stock  
$627.00 $439.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA002NV9
Chemical Name:
3-Methylbenzenecarbothioamide
CAS Number:
2362-63-2
Molecular Formula:
C8H9NS
Molecular Weight:
151.2288
MDL Number:
MFCD01314035
SMILES:
Cc1cccc(c1)C(=S)N
Properties
Properties
 
BP:
272.1±33.0℃ (760 Torr)  
Form:
Solid  
MP:
87-89°C  
Storage:
Room Temperature;  

Computed Properties
 
Complexity:
133  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
1.8  

Downstream Synthesis Route

[1]JournalofMedicinalChemistry,1974,vol.17,p.1177-1181

[1]Heterocycles,2018,vol.96,p.509-517

[2]IlFarmaco,1999,vol.54,p.533-541

[3]RSCAdvances,2018,vol.8,p.170-175

[4]ChemicalandPharmaceuticalBulletin,2005,vol.53,p.410-418

[5]CanadianJournalofChemistry,1977,vol.55,p.2331-2335

[6]JournalofHeterocyclicChemistry,1980,vol.17,p.819-821

[7]Patent:WO2011/109799,2011,A1.Locationinpatent:Page/Pagecolumn171

[8]JournaloftheAmericanChemicalSociety,2015,vol.137,p.5670-5673

[9]MedicinalChemistryResearch,2016,vol.25,p.2399-2409

[10]OrganicandBiomolecularChemistry,2019,vol.17,p.7664-7668

[1]JournalofMedicinalChemistry,1974,vol.17,p.1177-1181

[1]EuropeanJournalofMedicinalChemistry,2017,vol.138,p.458-479

[2]EuropeanJournalofMedicinalChemistry,2019,vol.164,p.352-365

[3]JustusLiebigsAnnalenderChemie,1974,p.1195-1205

[4]BioorganicChemistry,2021,vol.114

[1]IlFarmaco,1999,vol.54,p.533-541

Literature

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

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: 3-Methyl-thio-benzamide.

Journal: Acta crystallographica. Section E, Structure reports online 20090601

Quotation Request
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Additional Info:
SDS
Tags:2362-63-2 Molecular Formula|2362-63-2 MDL|2362-63-2 SMILES|2362-63-2 3-Methylbenzenecarbothioamide
Catalog No.: AA002NV9
2362-63-2,MFCD01314035
2362-63-2 | 3-Methylbenzenecarbothioamide
Pack Size: 250mg
Purity: 98%
in stock
$9.00 $7.00
Pack Size: 1g
Purity: 98%
in stock
$16.00 $11.00
Pack Size: 5g
Purity: 98%
in stock
$74.00 $52.00
Pack Size: 25g
Purity: 98%
in stock
$253.00 $177.00
Pack Size: 100g
Purity: 98%
in stock
$627.00 $439.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA002NV9
Chemical Name: 3-Methylbenzenecarbothioamide
CAS Number: 2362-63-2
Molecular Formula: C8H9NS
Molecular Weight: 151.2288
MDL Number: MFCD01314035
SMILES: Cc1cccc(c1)C(=S)N
Properties
BP: 272.1±33.0℃ (760 Torr)  
Form: Solid  
MP: 87-89°C  
Storage: Room Temperature;  
Complexity: 133  
Covalently-Bonded Unit Count: 1  
Heavy Atom Count: 10  
Hydrogen Bond Acceptor Count: 1  
Hydrogen Bond Donor Count: 1  
Rotatable Bond Count: 1  
XLogP3: 1.8  
Downstream Synthesis Route
2362-63-2    53515-22-3    23821-77-4 

[1]JournalofMedicinalChemistry,1974,vol.17,p.1177-1181

620-22-4    2362-63-2 

[1]Heterocycles,2018,vol.96,p.509-517

[2]IlFarmaco,1999,vol.54,p.533-541

[3]RSCAdvances,2018,vol.8,p.170-175

[4]ChemicalandPharmaceuticalBulletin,2005,vol.53,p.410-418

[5]CanadianJournalofChemistry,1977,vol.55,p.2331-2335

[6]JournalofHeterocyclicChemistry,1980,vol.17,p.819-821

[7]Patent:WO2011/109799,2011,A1.Locationinpatent:Page/Pagecolumn171

[8]JournaloftheAmericanChemicalSociety,2015,vol.137,p.5670-5673

[9]MedicinalChemistryResearch,2016,vol.25,p.2399-2409

[10]OrganicandBiomolecularChemistry,2019,vol.17,p.7664-7668

2362-63-2    35158-39-5    53514-97-9 

[1]JournalofMedicinalChemistry,1974,vol.17,p.1177-1181

2362-63-2    609-15-4    54001-10-4 

[1]EuropeanJournalofMedicinalChemistry,2017,vol.138,p.458-479

[2]EuropeanJournalofMedicinalChemistry,2019,vol.164,p.352-365

[3]JustusLiebigsAnnalenderChemie,1974,p.1195-1205

[4]BioorganicChemistry,2021,vol.114

2362-63-2    51132-00-4    250258-63-0 

[1]IlFarmaco,1999,vol.54,p.533-541

Literature fold

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

Journal: Bioorganic & medicinal chemistry letters20101101

Title: 3-Methyl-thio-benzamide.

Journal: Acta crystallographica. Section E, Structure reports online20090601

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