| CAS Number | 1379207-02-9 |
| Catalog Number | AG01FE66(AGN-PC-3H5C09) |
| Chemical Name | 2-Amino-4,5-dimethoxythiobenzamide |
| IUPAC Name | 2-amino-4,5-dimethoxybenzenecarbothioamide |
| InChI | InChI=1S/C9H12N2O2S/c1-12-7-3-5(9(11)14)6(10)4-8(7)13-2/h3-4H,10H2,1-2H3,(H2,11,14) |
| InChI Key | MMFBQWVQXDCWDY-UHFFFAOYSA-N |
| MDL Number | MFCD16658867 |
| Molecular Formula | C9H12N2O2S |
| Molecular Weight | 212.2688 |
| SMILES | COc1cc(C(=S)N)c(cc1OC)N |
| Synonyms | 2-Amino-4,5-dimethoxythiobenzamide,
1379207-02-9,
2-Amino-4,5-dimethoxybenzothioamide,
MFCD16658867,
ZINC83347008,
AKOS022990711,
2-amino-4,5-dimethoxybenzene-1-carbothioamide,
|
| Complexity | 213 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.267g/mol |
| Monoisotopic Mass | 212.062g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 103A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
Lot Number