| CAS Number | 1049874-17-0 |
| Catalog Number | AG019MJC |
| Chemical Name | 3-[(4-Methylphenyl)amino]propanethioamide |
| IUPAC Name | 3-(4-methylanilino)propanethioamide |
| InChI | InChI=1S/C10H14N2S/c1-8-2-4-9(5-3-8)12-7-6-10(11)13/h2-5,12H,6-7H2,1H3,(H2,11,13) |
| InChI Key | CFOGRYQPLKEQCN-UHFFFAOYSA-N |
| MDL Number | MFCD10686891 |
| Molecular Formula | C10H14N2S |
| Molecular Weight | 194.2966 |
| SMILES | CC1=CC=C(NCCC(N)=S)C=C1 |
| Synonyms | 3-[(4-methylphenyl)amino]propanethioamide,
1049874-17-0,
AC1Q2MLB,
CTK7D3893,
ZINC20283553,
AKOS008119256,
MCULE-6912784162,
NE20935,
EN300-36376,
|
| Complexity | 162 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.088g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.296g/mol |
| Monoisotopic Mass | 194.088g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 70.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number