| CAS Number | 60758-96-5 |
| Catalog Number | AG019J4G(AGN-PC-0KH6RS) |
| Chemical Name | 4-Ethoxy-3-methoxybenzene-1-carbothioamide |
| IUPAC Name | 4-ethoxy-3-methoxybenzenecarbothioamide |
| InChI | InChI=1S/C10H13NO2S/c1-3-13-8-5-4-7(10(11)14)6-9(8)12-2/h4-6H,3H2,1-2H3,(H2,11,14) |
| InChI Key | XNFZUJTUOOAARW-UHFFFAOYSA-N |
| MDL Number | MFCD04620387 |
| Molecular Formula | C10H13NO2S |
| Molecular Weight | 211.2807 |
| SMILES | CCOC1=C(OC)C=C(C(N)=S)C=C1 |
| Synonyms | 4-ethoxy-3-methoxybenzene-1-carbothioamide,
4-ethoxy-3-methoxybenzenecarbothioamide,
60758-96-5,
AC1M8RH3,
AC1Q35V1,
CTK6G2499,
HMS1752E18,
ZINC3374679,
SBB042830,
AKOS000116909,
MCULE-3385975423,
NE31138,
EN300-08542,
amino(4-ethoxy-3-methoxyphenyl)methane-1-thione,
Z56942051,
ZINC03374679,
CID2492391,
|
| Complexity | 199 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.279g/mol |
| Monoisotopic Mass | 211.067g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 76.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number