| CAS Number | 602306-71-8 |
| Catalog Number | AG01AB5J(AGN-PC-06KA86) |
| Chemical Name | 3-[(4-Aminophenyl)sulfanyl]propan-1-ol |
| IUPAC Name | 3-(4-aminophenyl)sulfanylpropan-1-ol |
| InChI | InChI=1S/C9H13NOS/c10-8-2-4-9(5-3-8)12-7-1-6-11/h2-5,11H,1,6-7,10H2 |
| InChI Key | SKMRHSCBMAJRJC-UHFFFAOYSA-N |
| MDL Number | MFCD11635129 |
| Molecular Formula | C9H13NOS |
| Molecular Weight | 183.2706 |
| SMILES | NC1=CC=C(SCCCO)C=C1 |
| Synonyms | 3-[(4-aminophenyl)sulfanyl]propan-1-ol,
602306-71-8,
SCHEMBL5096192,
4-(3-Hydroxypropylthio)aniline,
SKMRHSCBMAJRJC-UHFFFAOYSA-N,
ZINC37181672,
AKOS008129341,
MCULE-1800885805,
NE41733,
EN300-70528,
AC1Q5264,
|
| Complexity | 113 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.071785g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.27g/mol |
| Monoisotopic Mass | 183.071785g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 71.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number