| CAS Number | 112677-16-4 |
| Catalog Number | AG0090YI(AGN-PC-0KKPLV) |
| Chemical Name | 3-(Dimethylamino)-1-(2-thienyl)-2-buten-1-one |
| IUPAC Name | 3-(dimethylamino)-1-thiophen-2-ylbut-2-en-1-one |
| InChI | InChI=1S/C10H13NOS/c1-8(11(2)3)7-9(12)10-5-4-6-13-10/h4-7H,1-3H3 |
| InChI Key | NXGSXJMLDZJGIZ-UHFFFAOYSA-N |
| MDL Number | MFCD03791167 |
| Molecular Formula | C10H13NOS |
| Molecular Weight | 195.2813 |
| SMILES | S1(C(C(=O)C=C(N(C)C)C)=CC=C1) |
| Synonyms | 3-(dimethylamino)-1-(2-thienyl)-2-buten-1-one,
3-(Dimethylamino)-1-(thiophen-2-yl)but-2-en-1-one,
112677-16-4,
AC1MC8GI,
CTK5J8610,
KS-00001U1B,
AKOS030240174,
MCULE-1110229500,
3-(dimethylamino)-1-thiophen-2-ylbut-2-en-1-one,
ZINC00168097,
CID2763546,
|
| Complexity | 223 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.28g/mol |
| Monoisotopic Mass | 195.072g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 48.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number