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103264-35-3 | (quinolin-8-yl)methanethiol
CAS No: 103264-35-3 Catalog No: AG01BXGW MDL No:MFCD23790666
Product Description
Catalog Number:
AG01BXGW
Chemical Name:
(quinolin-8-yl)methanethiol
CAS Number:
103264-35-3
Molecular Formula:
C10H9NS
Molecular Weight:
175.2502
MDL Number:
MFCD23790666
IUPAC Name:
quinolin-8-ylmethanethiol
InChI:
InChI=1S/C10H9NS/c12-7-9-4-1-3-8-5-2-6-11-10(8)9/h1-6,12H,7H2
InChI Key:
FINMYCNANOBBTK-UHFFFAOYSA-N
SMILES:
SCc1cccc2c1nccc2
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.046g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
175.249g/mol
Monoisotopic Mass:
175.046g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
13.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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