| CAS Number | 65680-20-8 |
| Catalog Number | AG006PV1(AGN-PC-0LNHJI) |
| Chemical Name | 3-PHENYLTHIOPROPIONAMIDE |
| IUPAC Name | 3-phenylpropanethioamide |
| InChI | InChI=1S/C9H11NS/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,10,11) |
| InChI Key | LDFXFTLANQXFQF-UHFFFAOYSA-N |
| MDL Number | MFCD03150864 |
| Molecular Formula | C9H11NS |
| Molecular Weight | 165.2553 |
| SMILES | C1(=CC=CC=C1)CCC(N)=S |
| Synonyms | 3-phenylpropanethioamide,
65680-20-8,
3-PHENYLTHIOPROPIONAMIDE,
phenylpropionic acid thioamide,
3-phenyl(thiopropionamide),
AC1NP64I,
SCHEMBL3651336,
CTK5C2988,
DTXSID80408828,
LDFXFTLANQXFQF-UHFFFAOYSA-N,
AC1Q5011,
ZINC5900088,
STK063513,
AKOS000151619,
MCULE-8507623226,
NE12382,
EN300-52189,
CID5150735,
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| Complexity | 128 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 165.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 165.254g/mol |
| Monoisotopic Mass | 165.061g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 58.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number