| CAS Number | 118705-17-2 |
| Catalog Number | AG019X5V(AGN-PC-0NKRA0) |
| Chemical Name | 4-Isothiocyanato-1-methylpiperidine |
| IUPAC Name | 4-isothiocyanato-1-methylpiperidine |
| InChI | InChI=1S/C7H12N2S/c1-9-4-2-7(3-5-9)8-6-10/h7H,2-5H2,1H3 |
| InChI Key | AQZKLVVGTLCSOS-UHFFFAOYSA-N |
| MDL Number | MFCD12167340 |
| Molecular Formula | C7H12N2S |
| Molecular Weight | 156.2486 |
| SMILES | N(=C=S)C1CCN(CC1)C |
| Synonyms | 4-isothiocyanato-1-methylpiperidine,
118705-17-2,
AC1Q3ZMV,
SCHEMBL6901390,
CTK6I2347,
AQZKLVVGTLCSOS-UHFFFAOYSA-N,
ZINC34726838,
AKOS009464173,
NE22882,
EN300-54130,
|
| Complexity | 144 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 156.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 156.247g/mol |
| Monoisotopic Mass | 156.072g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 47.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number