| CAS Number | 166818-83-3 |
| Catalog Number | AG01BETX |
| Chemical Name | 2-[(4-amino-3-methylphenyl)sulfanyl]ethan-1-ol |
| IUPAC Name | 2-(4-amino-3-methylphenyl)sulfanylethanol |
| InChI | InChI=1S/C9H13NOS/c1-7-6-8(12-5-4-11)2-3-9(7)10/h2-3,6,11H,4-5,10H2,1H3 |
| InChI Key | JLOJPFYZGAJBRK-UHFFFAOYSA-N |
| MDL Number | MFCD12091914 |
| Molecular Formula | C9H13NOS |
| Molecular Weight | 183.2706 |
| SMILES | CC1=C(N)C=CC(SCCO)=C1 |
| Synonyms | 2-[(4-amino-3-methylphenyl)sulfanyl]ethan-1-ol,
166818-83-3,
ZINC36335906,
AKOS005132866,
NE60731,
|
| Complexity | 132 |
| 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 | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
Lot Number