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Home > Pyridines > 182171-48-8
182171-48-8 | Cysteine, S-[2-(4-pyridinyl)ethyl]-
CAS No: 182171-48-8 Catalog No: AG0023FU MDL No:
Product Description
Catalog Number:
AG0023FU
Chemical Name:
Cysteine, S-[2-(4-pyridinyl)ethyl]-
CAS Number:
182171-48-8
Molecular Formula:
C10H14N2O2S
Molecular Weight:
226.2954
IUPAC Name:
2-amino-3-(2-pyridin-4-ylethylsulfanyl)propanoic acid
InChI:
InChI=1S/C10H14N2O2S/c11-9(10(13)14)7-15-6-3-8-1-4-12-5-2-8/h1-2,4-5,9H,3,6-7,11H2,(H,13,14)
InChI Key:
OBAZTSDKFIRVPD-UHFFFAOYSA-N
SMILES:
N[C@H](C(=O)O)CSCCc1ccncc1
EC Number:
249-249-9
NSC Number:
328389
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.078g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
226.294g/mol
Monoisotopic Mass:
226.078g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.8
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