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3-Methoxybenzothioamide
Phân loại: Reagent
Tính chất: EP
Thương hiệu: Angene
| CAS Number | 64559-06-4 |
| Catalog Number | AG003JO6(AGN-PC-0KBOOE) |
| Chemical Name | 3-Methoxybenzothioamide |
| IUPAC Name | 3-methoxybenzenecarbothioamide |
| InChI | InChI=1S/C8H9NOS/c1-10-7-4-2-3-6(5-7)8(9)11/h2-5H,1H3,(H2,9,11) |
| InChI Key | LQSZSWBMLMGWPC-UHFFFAOYSA-N |
| MDL Number | MFCD04627361 |
| Molecular Formula | C8H9NOS |
| Molecular Weight | 167.2282 |
| SMILES | COc1cccc(c1)C(=S)N |
| Synonyms |
3-Methoxythiobenzamide, 64559-06-4, 3-methoxybenzothioamide, 3-Methoxybenzenecarbothioamide, 3-methoxy-thiobenzamide, Benzenecarbothioamide,3-methoxy-, LQSZSWBMLMGWPC-UHFFFAOYSA-N, MFCD04627361, amino(3-methoxyphenyl)methane-1-thione, ACMC-20an1d, AC1M11GH, 3-Methoxythiobenzamide, 97%, CHEMBL456569, SCHEMBL2888543, 3-Methoxybenzenecarbothioamide #, CTK5C1404, DTXSID80366191, ZINC2533930, 1389AH, SBB016506, STL220442, AKOS000203397, AB20844, MCULE-4884009501, 3-METHOXYBENZENE-1-CARBOTHIOAMIDE, AS-44304, DB-073512, TC-169528, FT-0692206, ST45244250, A834810, C8H9NOS, ZINC02533930, CID2060838, Benzenecarbothioamide, 3-methoxy- (9CI), |
CHI TIẾT :
| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.226g/mol |
| Monoisotopic Mass | 167.04g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 67.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
| Hazard statements | H317-H319 |
| Precuationary statements | P280-P305+P351+P338 |
| Siginal words |