| CAS Number | 1311314-26-7 |
| Catalog Number | AG01AH68(AGN-PC-0WO5KY) |
| Chemical Name | [1-(phenylsulfanyl)cyclopropyl]methanamine |
| IUPAC Name | (1-phenylsulfanylcyclopropyl)methanamine |
| InChI | InChI=1S/C10H13NS/c11-8-10(6-7-10)12-9-4-2-1-3-5-9/h1-5H,6-8,11H2 |
| InChI Key | XVHVQEQFDFBYTE-UHFFFAOYSA-N |
| MDL Number | MFCD18483219 |
| Molecular Formula | C10H13NS |
| Molecular Weight | 179.2819 |
| SMILES | NCC1(SC2=CC=CC=C2)CC1 |
| Synonyms | [1-(phenylsulfanyl)cyclopropyl]methanamine,
1311314-26-7,
ZINC62151967,
AKOS006283526,
NE29771,
EN300-73815,
Z1267773648,
|
| Complexity | 148 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.281g/mol |
| Monoisotopic Mass | 179.077g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 51.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number