Cas no 21861-11-0 (L-Cysteine,S-(2-carboxy-1-methylethyl)- (9CI))
21861-11-0 structure
Product Name:L-Cysteine,S-(2-carboxy-1-methylethyl)- (9CI)
CAS No:21861-11-0
MF:C7H13NO4S
MW:207.24742102623
CID:290114
PubChem ID:30836
Update Time:2025-04-19
L-Cysteine,S-(2-carboxy-1-methylethyl)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- L-Cysteine,S-(2-carboxy-1-methylethyl)- (9CI)
- 3-(2-amino-2-carboxyethyl)sulfanylbutanoic acid
- S-(2-carboxyisopropyl)cysteine
- DTXSID10944466
- S-(2-CARBOXY-1-METHYLETHYL)-L-CYSTEINE
- 21861-11-0
- 3-[(2-amino-2-carboxyethyl)sulfanyl]butanoic acid
-
- Inchi： 1S/C7H13NO4S/c1-4(2-6(9)10)13-3-5(8)7(11)12/h4-5H,2-3,8H2,1H3,(H,9,10)(H,11,12)
- InChI Key： QAGUPZKZTPZYRU-UHFFFAOYSA-N
- SMILES： S(CC(C(=O)O)N)C(C)CC(=O)O
Computed Properties
- Exact Mass: 207.05659
- Monoisotopic Mass: 207.056529
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 13
- Rotatable Bond Count: 6
- Complexity: 197
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 126
- XLogP3: -2.8
Experimental Properties
- Density: 1.365
- Boiling Point: 429.2°Cat760mmHg
- Flash Point: 213.4°C
- Refractive Index: 1.559
- PSA: 100.62
L-Cysteine,S-(2-carboxy-1-methylethyl)- (9CI) Related Literature
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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