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17617-05-9 | 3-Pyridinemethanethiol
CAS No: 17617-05-9 Catalog No: AG0024GI MDL No:MFCD01691719
Product Description
Catalog Number:
AG0024GI
Chemical Name:
3-Pyridinemethanethiol
CAS Number:
17617-05-9
Molecular Formula:
C6H7NS
Molecular Weight:
125.1915
MDL Number:
MFCD01691719
IUPAC Name:
pyridin-3-ylmethanethiol
InChI:
InChI=1S/C6H7NS/c8-5-6-2-1-3-7-4-6/h1-4,8H,5H2
InChI Key:
MBXKCLHOVPXMCJ-UHFFFAOYSA-N
SMILES:
SCc1cccnc1
Properties
Complexity:
65.5
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:
1
Topological Polar Surface Area:
13.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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