Cas no 130999-92-7 (Cysteine,N-(2-mercapto-2-methyl-1-oxopropyl)-)
130999-92-7 structure
Product Name:Cysteine,N-(2-mercapto-2-methyl-1-oxopropyl)-
CAS No:130999-92-7
MF:C7H13NO3S2
MW:223.313019514084
CID:102452
PubChem ID:2459
Update Time:2025-04-18
Cysteine,N-(2-mercapto-2-methyl-1-oxopropyl)- Chemical and Physical Properties
Names and Identifiers
-
- Cysteine,N-(2-mercapto-2-methyl-1-oxopropyl)-
- 2-[(2-methyl-2-sulfanylpropanoyl)amino]-3-sulfanylpropanoic acid
- N-(2-Mercapto-2-methylpropionyl)-DL-cysteine
- DL-Cysteine, N-(2-mercapto-2-methyl-1-oxopropyl)-
- Cysteine, N-(2-mercapto-2-methyl-1-oxopropyl)-
- n-(2-methyl-2-sulfanylpropanoyl)cysteine
- DE019
- Thiobutarit
- (2R)-2-(2-METHYL-2-SULFANYLPROPANAMIDO)-3-SULFANYLPROPANOIC ACID
- FT-0601553
- SA96
- NCGC00182062-02
- SCHEMBL522713
- DE019; SA96;Thiobutarit;Rimatil.
- 130999-92-7
- DE 019
- DTXSID20860805
- Bucillamine [INN:JAN]
-
- Inchi： 1S/C7H13NO3S2/c1-7(2,13)6(11)8-4(3-12)5(9)10/h4,12-13H,3H2,1-2H3,(H,8,11)(H,9,10)
- InChI Key： VUAFHZCUKUDDBC-UHFFFAOYSA-N
- SMILES： SC(C)(C)C(NC(C(=O)O)CS)=O
Computed Properties
- Exact Mass: 223.03379
- Monoisotopic Mass: 223.03368562g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 218
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.4
- Topological Polar Surface Area: 68.4?2
Experimental Properties
- PSA: 66.4
Cysteine,N-(2-mercapto-2-methyl-1-oxopropyl)- Related Literature
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
-
S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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