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Home Other Building Blocks 2362-63-2
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
  • Properties
  • Downstream Synthesis Route
  • Literature
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

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SDS
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