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115453-71-9 | L-Cysteine, S-(2-chloroethenyl)-
CAS No: 115453-71-9 Catalog No: AG000G0B MDL No:
Product Description
Catalog Number:
AG000G0B
Chemical Name:
L-Cysteine, S-(2-chloroethenyl)-
CAS Number:
115453-71-9
Molecular Formula:
C5H8ClNO2S
Molecular Weight:
181.6405
IUPAC Name:
(2R)-2-amino-3-(2-chloroethenylsulfanyl)propanoic acid
InChI:
InChI=1S/C5H8ClNO2S/c6-1-2-10-3-4(7)5(8)9/h1-2,4H,3,7H2,(H,8,9)/t4-/m0/s1
InChI Key:
IPUYWODMJIEJQU-BYPYZUCNSA-N
SMILES:
N[C@H](C(=O)O)CSC=CCl
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
180.996g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
181.634g/mol
Monoisotopic Mass:
180.996g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
88.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
-1.9
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