| CAS Number | 1251925-33-3 |
| Catalog Number | AG01AA78 |
| Chemical Name | 1-[(4-aminophenyl)sulfanyl]-N,N-dimethylformamide hydrochloride |
| IUPAC Name | S-(4-aminophenyl) N,N-dimethylcarbamothioate;hydrochloride |
| InChI | InChI=1S/C9H12N2OS.ClH/c1-11(2)9(12)13-8-5-3-7(10)4-6-8;/h3-6H,10H2,1-2H3;1H |
| InChI Key | WMMCDPJCWFYENC-UHFFFAOYSA-N |
| MDL Number | MFCD16990651 |
| Molecular Formula | C9H13ClN2OS |
| Molecular Weight | 232.7303 |
| SMILES | Cl.CN(C(SC1=CC=C(N)C=C1)=O)C |
| Synonyms | 1-[(4-aminophenyl)sulfanyl]-N,N-dimethylformamide hydrochloride,
1251925-33-3,
AC1Q3BK1,
NE16150,
EN300-67285,
|
| Complexity | 177 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.726g/mol |
| Monoisotopic Mass | 232.044g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 71.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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