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854357-35-0 | 2-(4-methyl-1,3-thiazol-2-yl)ethanethioamide
CAS No: 854357-35-0 Catalog No: AG019OC5 MDL No:MFCD06655899
Product Description
Catalog Number:
AG019OC5
Chemical Name:
2-(4-methyl-1,3-thiazol-2-yl)ethanethioamide
CAS Number:
854357-35-0
Molecular Formula:
C6H8N2S2
Molecular Weight:
172.2711
MDL Number:
MFCD06655899
IUPAC Name:
2-(4-methyl-1,3-thiazol-2-yl)ethanethioamide
InChI:
InChI=1S/C6H8N2S2/c1-4-3-10-6(8-4)2-5(7)9/h3H,2H2,1H3,(H2,7,9)
InChI Key:
GIRPOGVYTBVPIZ-UHFFFAOYSA-N
SMILES:
Cc1csc(n1)CC(=S)N
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.013g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
172.264g/mol
Monoisotopic Mass:
172.013g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
99.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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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