| CAS Number | 5310-18-9 |
| Catalog Number | AG00DK1F(AGN-PC-0KO6S7) |
| Chemical Name | N-(4-methoxyphenyl)ethanethioamide |
| IUPAC Name | N-(4-methoxyphenyl)ethanethioamide |
| InChI | InChI=1S/C9H11NOS/c1-7(12)10-8-3-5-9(11-2)6-4-8/h3-6H,1-2H3,(H,10,12) |
| InChI Key | WZNUJVLBHDEJDY-UHFFFAOYSA-N |
| MDL Number | MFCD00044138 |
| Molecular Formula | C9H11NOS |
| Molecular Weight | 181.2547 |
| SMILES | C(NC1=CC=C(OC)C=C1)(=S)C |
| Synonyms | N-(4-methoxyphenyl)ethanethioamide,
5310-18-9,
Ethanethioamide, N-(4-methoxyphenyl)-,
p-Acetanisidide, thio-,
N-(4-Methoxyphenyl)thioacetamide,
AC1MHWZI,
DTXSID2063769,
SCHEMBL13715007,
CTK8J0502,
ZINC33650057,
AKOS015958722,
MCULE-6189399050,
Z3283,
F9995-0289,
C9H11NOS,
C9-H11-N-O-S,
CID3034157,
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| Complexity | 153 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.253g/mol |
| Monoisotopic Mass | 181.056g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 53.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number