4-Aminothiobenzamide - CAS 4714-67-4
Catalog: |
BB026226 |
Product Name: |
4-Aminothiobenzamide |
CAS: |
4714-67-4 |
Synonyms: |
Benzenecarbothioamide, 4-amino-; Benzamide, p-aminothio-; 4-Aminothiobenzamide; NSC 18337; p-Aminobenzothiamide |
IUPAC Name: | 4-aminobenzenecarbothioamide |
Molecular Weight: | 152.22 |
Molecular Formula: | C7H8N2S |
Canonical SMILES: | C1=CC(=CC=C1C(=S)N)N |
InChI: | InChI=1S/C7H8N2S/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H2,9,10) |
InChI Key: | LZJVSPPXXGXGQL-UHFFFAOYSA-N |
Boiling Point: | 325.6±44.0°C at 760 mmHg |
Melting Point: | 188°C |
Purity: | ≥95% |
Density: | 1.286±0.06 g/cm3 |
Solubility: | Soluble in DMF, DMSO, Ethanol |
Appearance: | Crystalline Solid |
Storage: | Store at -20°C |
LogP: | 2.18450 |
GHS Hazard Statement: | H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P272, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P333+P313, P337+P313, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-102791693-B | Hepatitis c virus inhibitors | 20091230 |
JP-2013516415-A | Hepatitis C virus inhibitor | 20091230 |
JP-5787900-B2 | Hepatitis C virus inhibitor | 20091230 |
US-2011294819-A1 | Hepatitis C Virus Inhibitors | 20091230 |
US-2013085147-A1 | Hepatitis C Virus Inhibitors | 20091230 |
PMID | Publication Date | Title | Journal |
4234663 | 19661101 | [Chemical studies the mechanism of action of isoniazid] | Arzneimittel-Forschung |
5885087 | 19651101 | Antituberculous compounds. XXVII. Monoalkylaminobenzothioamides | Journal of medicinal chemistry |
Complexity: | 128 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 152.04081944 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 152.04081944 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 84.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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