| CAS Number | 380343-37-3 |
| Catalog Number | AG00C6MV |
| Chemical Name | 2-(2-Chlorophenyl)-2-(methylamino)-6-(thiophen-2-ylmethylidene)cyclohexan-1-one |
| IUPAC Name | (6E)-2-(2-chlorophenyl)-2-(methylamino)-6-(thiophen-2-ylmethylidene)cyclohexan-1-one |
| InChI | InChI=1S/C18H18ClNOS/c1-20-18(15-8-2-3-9-16(15)19)10-4-6-13(17(18)21)12-14-7-5-11-22-14/h2-3,5,7-9,11-12,20H,4,6,10H2,1H3/b13-12+ |
| InChI Key | KQBLYDZKTIEVTF-OUKQBFOZSA-N |
| MDL Number | MFCD02724747 |
| Molecular Formula | C18H18ClNOS |
| Molecular Weight | 331.8596 |
| SMILES | O=C1C(NC)(C2=CC=CC=C2Cl)CCCC1=CC3=CC=CS3 |
| Synonyms | 2-(2-Chloro-phenyl)-2-methylamino-6-thiophen-2-ylmethylene-cyclohexanone,
380343-37-3,
2-(2-chlorophenyl)-2-methylamino-6-thiophen-2-ylmethylene-cyclohexanone,
EN300-02506,
AC1O0LSM,
AC1Q40UL,
AKOS000116011,
J-505588,
(6E)-2-(2-chlorophenyl)-2-(methylamino)-6-(thiophen-2-ylmethylidene)cyclohexan-1-one,
CID6044734,
2-(2-chlorophenyl)-2-methylamino-6-(thiophen-2-ylmethylidene)cyclohexan-1-one,
|
| Complexity | 452 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 331.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 331.858g/mol |
| Monoisotopic Mass | 331.08g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 57.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number