| CAS Number | 438237-83-3 |
| Catalog Number | AG00DAX3(AGN-PC-0WBO3A) |
| Chemical Name | S-4-methylbenzyl-L-cysteinol |
| IUPAC Name | (2R)-2-amino-3-[(4-methylphenyl)methylsulfanyl]propan-1-ol |
| InChI | InChI=1S/C11H17NOS/c1-9-2-4-10(5-3-9)7-14-8-11(12)6-13/h2-5,11,13H,6-8,12H2,1H3/t11-/m1/s1 |
| InChI Key | YORIOJRHRGVUSU-LLVKDONJSA-N |
| MDL Number | MFCD00160323 |
| Molecular Formula | C11H17NOS |
| Molecular Weight | 211.3238 |
| SMILES | OC[C@H](CSCc1ccc(cc1)C)N |
| Synonyms | 438237-83-3,
H-CYS(CH3BZL)-OL,
L-CYSTEINOL(MBZL),
H-Cysteinol(4-MeBzl),
l-Cysteinol(4-mebzl),
S-4-methylbenzyl-L-cysteinol,
h-cys(ch3bzl)-ol, AldrichCPR,
S-(p-Methylbenzyl)-L-cysteinol,
ZINC2567345,
7303AH,
MFCD00671686,
AKOS025404114,
K-8921,
C11H17NOS,
|
| Complexity | 146 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.323g/mol |
| Monoisotopic Mass | 211.103g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 71.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number