| CAS Number | 910443-19-5 |
| Catalog Number | AG00IGFL(AGN-PC-0WAZZ4) |
| Chemical Name | 2-Amino-2-[4-(methylthio)phenyl]ethanol |
| IUPAC Name | 2-amino-2-(4-methylsulfanylphenyl)ethanol |
| InChI | InChI=1S/C9H13NOS/c1-12-8-4-2-7(3-5-8)9(10)6-11/h2-5,9,11H,6,10H2,1H3 |
| InChI Key | SISQHIHFZXIWAT-UHFFFAOYSA-N |
| MDL Number | MFCD08752775 |
| Molecular Formula | C9H13NOS |
| Molecular Weight | 183.2706 |
| SMILES | CSC1=CC=C(C(CO)N)C=C1 |
| Synonyms | 2-AMINO-2-[4-(METHYLTHIO)PHENYL]ETHANOL,
910443-19-5,
2-Amino-2-(4-(methylthio)phenyl)ethanol,
2-amino-2-[4-(methylsulfanyl)phenyl]ethanol,
2-amino-2-[4-(methylsulfanyl)phenyl]ethan-1-ol,
SCHEMBL19012040,
BBL021613,
KM4894,
MFCD08752775,
STK894326,
AKOS005143859,
GS-5513,
MCULE-5223156254,
KS-0000262S,
|
| Complexity | 124 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.269g/mol |
| Monoisotopic Mass | 183.072g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 71.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number