| CAS Number | 852706-22-0 |
| Catalog Number | AG019O75 |
| Chemical Name | 2-[4-(4-Methylphenyl)-1,3-thiazol-2-yl]ethanethioamide |
| IUPAC Name | 2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethanethioamide |
| InChI | InChI=1S/C12H12N2S2/c1-8-2-4-9(5-3-8)10-7-16-12(14-10)6-11(13)15/h2-5,7H,6H2,1H3,(H2,13,15) |
| InChI Key | TYNXSOIJPOGOIE-UHFFFAOYSA-N |
| MDL Number | MFCD06655592 |
| Molecular Formula | C12H12N2S2 |
| Molecular Weight | 248.3671 |
| SMILES | CC1=CC=C(C2N=C(CC(N)=S)SC=2)C=C1 |
| Synonyms | 2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethanethioamide,
852706-22-0,
AC1NLQ7F,
AC1Q2K26,
CTK7D3887,
ZINC4206036,
AKOS008987478,
MCULE-9597252000,
NE21203,
EN300-12968,
Z85928756,
ZINC04206036,
CID4962158,
|
| Complexity | 249 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.362g/mol |
| Monoisotopic Mass | 248.044g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 99.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number