(4E)-4-[2-(5-Amino-1,3,4-thiadiazol-2-yl)hydrazinylidene]-3-hydroxycyclohexa-2,5-dien-1-one
Basic information
- CAS
60592-95-2- Standard SMILES
Nc1nnc(N=Nc2ccc(O)cc2O)s1- InChIKey
ZVOMSXVOSRZBHN-UHFFFAOYSA-N- Molecular formula
- C8H7N5O2S
- Average molar mass
- 237.24 g/mol
- Monoisotopic mass
- 237.03204566
Names & identifiers
- Preferred name
- (4E)-4-[2-(5-Amino-1,3,4-thiadiazol-2-yl)hydrazinylidene]-3-hydroxycyclohexa-2,5-dien-1-one
- IUPAC
- 4-[(5-amino-1,3,4-thiadiazol-2-yl)diazenyl]benzene-1,3-diol
Names & synonyms
60592-95-2NSC522431DTXSID70421440NSC-522431(4E)-4-[2-(5-Amino-1,3,4-thiadiazol-2-yl)hydrazinylidene]-3-hydroxycyclohexa-2,5-dien-1-one
Database identifiers
- CAS
60592-95-2- PubChem CID
- 351609
- DTXSID
DTXSID70421440
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 145 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 267
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Compound notes
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