| CAS Number | 1311314-42-7 |
| Catalog Number | AG01AH5A(AGN-PC-0WO5VZ) |
| Chemical Name | [1-(phenylsulfanyl)cyclopentyl]methanamine |
| IUPAC Name | (1-phenylsulfanylcyclopentyl)methanamine |
| InChI | InChI=1S/C12H17NS/c13-10-12(8-4-5-9-12)14-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10,13H2 |
| InChI Key | SHPPFZWGGRFORD-UHFFFAOYSA-N |
| MDL Number | MFCD18483203 |
| Molecular Formula | C12H17NS |
| Molecular Weight | 207.3351 |
| SMILES | NCC1(SC2=CC=CC=C2)CCCC1 |
| Synonyms | [1-(phenylsulfanyl)cyclopentyl]methanamine,
1311314-42-7,
ZINC62151956,
AKOS013174862,
MCULE-4649870338,
NE20952,
EN300-73741,
Z1267773642,
|
| Complexity | 169 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.108g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.335g/mol |
| Monoisotopic Mass | 207.108g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 51.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number