| CAS Number | 55288-30-7 |
| Catalog Number | AG00DFEW(AGN-PC-0OC7N0) |
| Chemical Name | S-(4-Nitrophenyl)-L-cysteine |
| IUPAC Name | (2R)-2-amino-3-(4-nitrophenyl)sulfanylpropanoic acid |
| InChI | InChI=1S/C9H10N2O4S/c10-8(9(12)13)5-16-7-3-1-6(2-4-7)11(14)15/h1-4,8H,5,10H2,(H,12,13)/t8-/m0/s1 |
| InChI Key | WXMIOWSCOYJQOT-QMMMGPOBSA-N |
| MDL Number | MFCD00671568 |
| Molecular Formula | C9H10N2O4S |
| Molecular Weight | 242.2517 |
| SMILES | N[C@@H](CSC1=CC=C(C=C1)[N+]([O-])=O)C(O)=O |
| Synonyms | S-(4-Nitrophenyl)-L-cysteine,
55288-30-7,
SCHEMBL6053553,
CTK7I3532,
ZINC1768906,
MFCD00671568,
AKOS027252986,
TC-164546,
N0612,
(2R)-2-AMINO-3-[(4-NITROPHENYL)SULFANYL]PROPANOIC ACID,
|
| Complexity | 261 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.249g/mol |
| Monoisotopic Mass | 242.036g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 134A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number