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2044-27-1 | 2(1H)-Pyridinethione, 1-methyl-
CAS No: 2044-27-1 Catalog No: AG0029HK MDL No:
Product Description
Catalog Number:
AG0029HK
Chemical Name:
2(1H)-Pyridinethione, 1-methyl-
CAS Number:
2044-27-1
Molecular Formula:
C6H7NS
Molecular Weight:
125.1915
IUPAC Name:
1-methylpyridine-2-thione
InChI:
InChI=1S/C6H7NS/c1-7-5-3-2-4-6(7)8/h2-5H,1H3
InChI Key:
UHOAUPKGWPQNDM-UHFFFAOYSA-N
SMILES:
S=c1ccccn1C
NSC Number:
157922
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
125.03g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
125.189g/mol
Monoisotopic Mass:
125.03g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
35.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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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