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6298-11-9 | 4-PYRIDINEETHANETHIOL HYDROCHLORIDE
CAS No: 6298-11-9 Catalog No: AG003M0J MDL No:MFCD00956047
Product Description
Catalog Number:
AG003M0J
Chemical Name:
4-PYRIDINEETHANETHIOL HYDROCHLORIDE
CAS Number:
6298-11-9
Molecular Formula:
C7H10ClNS
Molecular Weight:
175.6790
MDL Number:
MFCD00956047
IUPAC Name:
2-pyridin-4-ylethanethiol;hydrochloride
InChI:
InChI=1S/C7H9NS.ClH/c9-6-3-7-1-4-8-5-2-7;/h1-2,4-5,9H,3,6H2;1H
InChI Key:
AXSMNPPSEOLAGB-UHFFFAOYSA-N
SMILES:
SCCc1ccncc1.Cl
EC Number:
613-125-6
NSC Number:
45868
Properties
Complexity:
69.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.022g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
175.674g/mol
Monoisotopic Mass:
175.022g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
13.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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