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159092-64-5 | L-Cysteine, N-acetyl-S-(2-hydroxy-3-buten-1-yl)-
CAS No: 159092-64-5 Catalog No: AG001QGA MDL No:
Product Description
Catalog Number:
AG001QGA
Chemical Name:
L-Cysteine, N-acetyl-S-(2-hydroxy-3-buten-1-yl)-
CAS Number:
159092-64-5
Molecular Formula:
C9H15NO4S
Molecular Weight:
233.2847
IUPAC Name:
(2R)-2-acetamido-3-(2-hydroxybut-3-enylsulfanyl)propanoic acid
InChI:
InChI=1S/C9H15NO4S/c1-3-7(12)4-15-5-8(9(13)14)10-6(2)11/h3,7-8,12H,1,4-5H2,2H3,(H,10,11)(H,13,14)/t7?,8-/m0/s1
InChI Key:
FKFOCGZWTJHIGU-MQWKRIRWSA-N
SMILES:
C=CC(CSC[C@@H](C(=O)O)NC(=O)C)O
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
233.072g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
233.282g/mol
Monoisotopic Mass:
233.072g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
Literature
| Title | Journal |
|---|---|
| Simultaneous determination of six mercapturic acid metabolites of volatile organic compounds in human urine. | Chemical research in toxicology 20090601 |
| Biological monitoring in occupational exposure to low levels of 1,3-butadiene. | Toxicology letters 20040401 |
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