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88516-61-4 | Pyridinium, 1-(2-mercaptoethyl)-3-(methylthio)-, chloride
CAS No: 88516-61-4 Catalog No: AG00483A MDL No:
Product Description
Catalog Number:
AG00483A
Chemical Name:
Pyridinium, 1-(2-mercaptoethyl)-3-(methylthio)-, chloride
CAS Number:
88516-61-4
Molecular Formula:
C8H12ClNS2
Molecular Weight:
221.7706
IUPAC Name:
2-(3-methylsulfanylpyridin-1-ium-1-yl)ethanethiol;chloride
InChI:
InChI=1S/C8H11NS2.ClH/c1-11-8-3-2-4-9(7-8)5-6-10;/h2-4,7H,5-6H2,1H3;1H
InChI Key:
VSGDHUSOTRUPBU-UHFFFAOYSA-N
SMILES:
SCC[n+]1cccc(c1)SC.[Cl-]
Properties
Complexity:
108
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.01g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.761g/mol
Monoisotopic Mass:
221.01g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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