| CAS Number | 77053-22-6 |
| Catalog Number | AG019MF0(AGN-PC-0WOBMZ) |
| Chemical Name | 2-(Cyclopentylthio)aniline |
| IUPAC Name | 2-cyclopentylsulfanylaniline |
| InChI | InChI=1S/C11H15NS/c12-10-7-3-4-8-11(10)13-9-5-1-2-6-9/h3-4,7-9H,1-2,5-6,12H2 |
| InChI Key | BLPGHIAZWJCNJA-UHFFFAOYSA-N |
| MDL Number | MFCD09939963 |
| Molecular Formula | C11H15NS |
| Molecular Weight | 193.3085 |
| SMILES | NC1=C(SC2CCCC2)C=CC=C1 |
| Synonyms | 2-(cyclopentylthio)aniline,
2-(cyclopentylsulfanyl)aniline,
77053-22-6,
AC1Q51AG,
SCHEMBL11454764,
CTK7D9735,
ZINC19481703,
AKOS000183276,
MCULE-6896905730,
NE14648,
EN300-35990,
Z1251171237,
|
| Complexity | 154 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.093g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.308g/mol |
| Monoisotopic Mass | 193.093g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 51.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number