S-ALLYL-L-CYSTEINE (CAS 21593-77-1) — formula C6H11NO2S, molecular weight 161.05 g/mol.
S-ALLYL-L-CYSTEINE is a chemical compound with CAS registry number 21593-77-1 and molecular formula C6H11NO2S (molecular weight 161.05 g/mol).
CAS number: 21593-77-1
Its molecular formula C6H11NO2S comprises 6 C, 11 H, 1 N, 2 O, 1 S atoms.
Also known as: S-ALLYL-L-CYSTEINE · Allylcysteine
The CAS registry number of S-ALLYL-L-CYSTEINE is 21593-77-1.
Molecular formula C6H11NO2S, molecular weight 161.05 g/mol.
It is also registered under: S-ALLYL-L-CYSTEINE, Allylcysteine.
Public-database records for S-ALLYL-L-CYSTEINE (CAS 21593-77-1), reproduced here for independent cross-checking.
| GHS notification summary | 70.1% (89 / 127) |
|---|---|
| Reported hazard statements | H317 (29.9%) |
This chemical does not meet GHS hazard criteria for 70.1% (89 of 127) of all reports.
H317 (29.9%): May cause an allergic skin reaction [Warning Sensitization, Skin]
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Savory No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 70.1% (89 / 127) |
| CAS Registry Number | 21593-77-1 |
|---|---|
| PubChem CID | 9793905 |
| 分子式 | C6H11NO2S |
| 分子量 | 161.05 g/mol |
| IUPAC 名称 | (2R)-2-amino-3-prop-2-enylsulfanylpropanoic acid |
| InChIKey | ZFAHNWWNDFHPOH-YFKPBYRVSA-N |
| UNII(FDA) | 81R3X99M15 |
| ChEBI 编号 | CHEBI:133648 |
| FEMA 编号 | 4322 |
| JECFA 编号 | 1710 |
S-allyl-L-cysteine; 21593-77-1; S-Allylcysteine; S-Allyl cysteine; L-Cysteine, S-2-propenyl-; (+)-S-ALLYLCYSTEINE; CHEBI:74077; 81R3X99M15; (2R)-2-amino-3-prop-2-enylsulfanylpropanoic acid; FEMA NO. 4322; DTXSID20894862; NSC-96449; (2R)-2-AMINO-3-(PROP-2-EN-1-YLSULFANYL) PROPANOIC ACID; NSC96449; RefChem:48874; DTXCID901324424
| 分子量 | 161.22 |
|---|---|
| XLogP3 | -2.1 |
| 氢键供体数 | 2 |
| 氢键受体数 | 4 |
| 可旋转键数 | 5 |
| 精确质量 | 161.05104977 |
| 单同位素质量 | 161.05104977 |
| 拓扑极性表面积 | 88.6 |
| 重原子数 | 10 |
| 形式电荷 | 0 |
S-ALLYL-L-CYSTEINE is identified by CAS 21593-77-1, molecular formula C6H11NO2S and molecular weight 161.05 g/mol. UNII 81R3X99M15; ChEBI 133648; InChIKey ZFAHNWWNDFHPOH-YFKPBYRVSA-N.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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