| CAS Number | 851175-22-9 |
| Catalog Number | AG00IDJN(AGN-PC-0WOCU6) |
| Chemical Name | N-[(5-Chlorothien-2-yl)methyl]-n-ethylamine |
| IUPAC Name | N-[(5-chlorothiophen-2-yl)methyl]ethanamine |
| InChI | InChI=1S/C7H10ClNS/c1-2-9-5-6-3-4-7(8)10-6/h3-4,9H,2,5H2,1H3 |
| InChI Key | PMWLAERHYHLCCV-UHFFFAOYSA-N |
| MDL Number | MFCD06369648 |
| Molecular Formula | C7H10ClNS |
| Molecular Weight | 175.6790 |
| SMILES | CCNCC1SC(Cl)=CC=1 |
| Synonyms | N-[(5-chlorothien-2-yl)methyl]-N-ethylamine,
851175-22-9,
[(5-chlorothiophen-2-yl)methyl](ethyl)amine,
AC1M6KDX,
N-[(5-chlorothiophen-2-yl)methyl]ethanamine,
AC1Q31L9,
SCHEMBL12768200,
CTK6F2380,
ZINC3333992,
MFCD06369648,
AKOS000117586,
NE19926,
EN300-11583,
N-[(5-chlorothieN-2-yl)methyl]-N-ethylamine, AldrichCPR,
CID2450168,
|
| Complexity | 99.6 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 175.022g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 175.674g/mol |
| Monoisotopic Mass | 175.022g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 40.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number