Basic information
- CAS
127564-71-0- Standard SMILES
Cc1cc(NN=C(N)N)ccc1N=NC(N)=S- InChIKey
KPDNJEUYEXPACU-AANLELRNSA-N- Molecular formula
- C9H13N7S
- Average molar mass
- 251.31 g/mol
- Monoisotopic mass
- 251.09531462
Names & identifiers
- Preferred name
- Toluquinone-guanylhydrazone-thiosemicarbazone
- IUPAC
- [4-[2-(diaminomethylidene)hydrazinyl]-2-methylphenyl]iminothiourea
- English name
- ambazone 82-80
- Molecular weight
- 0
Names & synonyms
Ambazon 82-80127564-71-0Toluquinone-guanylhydrazone-thiosemicarbazoneAmbazone 82-80[4-[2-(diaminomethylidene)hydrazinyl]-2-methylphenyl]iminothioureaAmbazone, methyl derivativeDTXSID40879575(2Z)-2-[(4E)-4-(2-Carbamimidoylhydrazinylidene)-2-methylcyclohexa-2,5-dien-1-ylidene]hydrazine-1-carboximidothioic acidHydrazinecarbothioamide, 2-(4-((aminoiminomethyl)hydrazono)methyl-2,5-cyclohexadien-1-ylidene)-2-Methyl-4-(guanidinoimino)-2,5-cyclohexadien-1-one thiosemicarbazone
Database identifiers
- CAS
127564-71-0- PubChem CID
- 5487331
- DTXSID
DTXSID40879575- Nikkaji
- J314.051B
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 159 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 323
Chemistry & industry
Applications
DescriptionAmbazone 82-80 is a derivative of Ambazone, an antiseptic and antitumor agent.
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…