| Formula |
C8H13NO2S |
| IUPAC Name |
s-(2-acetamidoethyl) (e)-but-2-enethioate |
| Molecular Mass |
187.259 g·mol−1 |
| Heat of Formation |
-357.4 ± 16.7 kJ·mol−1 |
| Dipole Moment |
5.53 ± 1.08 D |
| Volume |
234.37 Å 3 |
| Surface Area |
233.2 Å 2 |
| HOMO Energy |
-9.19 ± 0.55 eV |
| LUMO Energy |
-0.56 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- (e)-but-2-enethioic acid s-(2-acetamidoethyl) ester
- 2-butenethioic acid, s-(2-(acetylamino)ethyl) ester
- 2-butenethioic acid, s-[2-(acetylamino)ethyl] ester
- s-(2-acetamidoethyl) (e)-but-2-enethioate
- s-[2-(acetylamino)ethyl] (2e)-2-butenethioate
- s-crotonyl-n-acetylcysteamine
|
| CAS Number(s) |
|
| InChIKey |
NPCILKSVBCGAGM-ONEGZZNKSA-N |
| QR Code |
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| Links |
PubChem
ChemSpider
|
| DOI |
|
| Downloads |
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|
| Elements |
H
S
C
O
N
|
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