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14510-11-3 | L-Cysteine, N-acetyl-S-(2-phenylethyl)-
CAS No: 14510-11-3 Catalog No: AG001KK9 MDL No:
Product Description
Catalog Number:
AG001KK9
Chemical Name:
L-Cysteine, N-acetyl-S-(2-phenylethyl)-
CAS Number:
14510-11-3
Molecular Formula:
C13H17NO3S
Molecular Weight:
267.3440
IUPAC Name:
(2R)-2-acetamido-3-(2-phenylethylsulfanyl)propanoic acid
InChI:
InChI=1S/C13H17NO3S/c1-10(15)14-12(13(16)17)9-18-8-7-11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3,(H,14,15)(H,16,17)/t12-/m0/s1
InChI Key:
MLNGHQSNNCRFOE-LBPRGKRZSA-N
SMILES:
CC(=O)N[C@H](C(=O)O)CSCCc1ccccc1
UNII:
6A0Y254GPU
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
267.093g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
267.343g/mol
Monoisotopic Mass:
267.093g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
91.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Simple method of methylation for gas chromatographic analysis of S-benzyl-N-acetylcysteine, a metabolite of toluene, in human urine. | Journal of analytical toxicology 20020101 |
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