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10351-13-0 | 3-Methyl-4-pyridinethiol
CAS No: 10351-13-0 Catalog No: AG019DBJ MDL No:MFCD13175381
Product Description
Catalog Number:
AG019DBJ
Chemical Name:
3-Methyl-4-pyridinethiol
CAS Number:
10351-13-0
Molecular Formula:
C6H7NS
Molecular Weight:
125.1915
MDL Number:
MFCD13175381
IUPAC Name:
3-methyl-1H-pyridine-4-thione
InChI:
InChI=1S/C6H7NS/c1-5-4-7-3-2-6(5)8/h2-4H,1H3,(H,7,8)
InChI Key:
SLPGDCCMTYJWSE-UHFFFAOYSA-N
SMILES:
S=C1C=CN=CC1C
Properties
Complexity:
167
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:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
125.189g/mol
Monoisotopic Mass:
125.03g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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