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88516-28-3 | Pyridinium, 1-(2-mercaptoethyl)-, chloride
CAS No: 88516-28-3 Catalog No: AG00483B MDL No:
Product Description
Catalog Number:
AG00483B
Chemical Name:
Pyridinium, 1-(2-mercaptoethyl)-, chloride
CAS Number:
88516-28-3
Molecular Formula:
C7H10ClNS
Molecular Weight:
175.6790
IUPAC Name:
2-pyridin-1-ium-1-ylethanethiol;chloride
InChI:
InChI=1S/C7H9NS.ClH/c9-7-6-8-4-2-1-3-5-8;/h1-5H,6-7H2;1H
InChI Key:
RIBHPTFRWWJERH-UHFFFAOYSA-N
SMILES:
SCC[n+]1ccccc1.[Cl-]
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:
1
Isotope Atom Count:
0
Molecular Weight:
175.674g/mol
Monoisotopic Mass:
175.022g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
4.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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