Formula |
C11H12ClNO3S |
IUPAC Name |
(2r)-2-acetamido-3-(4-chlorophenyl)sulfanyl-propanoic acid |
Molecular Mass |
273.736 g·mol−1 |
Heat of Formation |
-519.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.31 ± 1.08 D |
Volume |
303.26 Å 3 |
Surface Area |
283.76 Å 2 |
HOMO Energy |
-8.97 ± 0.55 eV |
LUMO Energy |
-0.91 ± eV |
Point Group Symmetry |
C1
|
Synonyms
|
- (2r)-2-acetamido-3-(4-chlorophenyl)sulfanyl-propanoic acid
- (2r)-2-acetamido-3-(4-chlorophenyl)sulfanylpropanoic acid
- (2r)-2-acetamido-3-[(4-chlorophenyl)thio]propanoic acid
- (2r)-2-acetamido-3-[(4-chlorophenyl)thio]propionic acid
- 4-chlorophenylmercapturic acid
- l-cysteine, n-acetyl-s-(4-chlorophenyl)-
|
CAS Number(s) |
|
InChIKey |
NYIHHVVSWNGRAJ-JTQLQIEISA-N |
QR Code |
Generate QR Code |
Links |
PubChem
ChemSpider
|
DOI |
|
Downloads |
Get JSON data
Get MOL2 data
Get SVG Image
|
Elements |
C
Cl
H
O
N
S
|
|
|