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174223-29-1 | 4-Thiazolecarbothioamide, 2-methyl-
CAS No: 174223-29-1 Catalog No: AG001ZJ1 MDL No:MFCD00052167
Product Description
Catalog Number:
AG001ZJ1
Chemical Name:
4-Thiazolecarbothioamide, 2-methyl-
CAS Number:
174223-29-1
Molecular Formula:
C5H6N2S2
Molecular Weight:
158.2445
MDL Number:
MFCD00052167
IUPAC Name:
2-methyl-1,3-thiazole-4-carbothioamide
InChI:
InChI=1S/C5H6N2S2/c1-3-7-4(2-9-3)5(6)8/h2H,1H3,(H2,6,8)
InChI Key:
DIOPPULTIGEDCB-UHFFFAOYSA-N
SMILES:
Cc1nc(cs1)C(=S)N
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.997g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
158.237g/mol
Monoisotopic Mass:
157.997g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
99.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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