| CAS Number | 5263-57-0 |
| Catalog Number | AG00DIWZ(AGN-PC-0WBRWI) |
| Chemical Name | Cyclopentanethiocyanate |
| IUPAC Name | cyclopentyl thiocyanate |
| InChI | InChI=1S/C6H9NS/c7-5-8-6-3-1-2-4-6/h6H,1-4H2 |
| InChI Key | ZTZNTHBAUFZQGQ-UHFFFAOYSA-N |
| MDL Number | MFCD11100558 |
| Molecular Formula | C6H9NS |
| Molecular Weight | 127.2074 |
| SMILES | N#CSC1CCCC1 |
| Synonyms | Cyclopentanethiocyanate,
5263-57-0,
cyclopentyl thiocyanate,
(cyclopentylsulfanyl)formonitrile,
MFCD11100558,
Cyclopentylrhodanid,
CTK8F8861,
4959AE,
BBL100825,
STL554619,
ZINC30714930,
AKOS005255522,
X-4020,
C6H9NS,
|
| Complexity | 107 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 127.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 127.205g/mol |
| Monoisotopic Mass | 127.046g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 49.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number