Hydrazinecarbothioamide, N-(phenylmethyl)-2-(1-phthalazinyl)-
Basic information
- CAS
61051-55-6- Standard SMILES
S=C(NCc1ccccc1)NNc1nncc2ccccc12- InChIKey
KZAPTMDJXZLOTJ-UHFFFAOYSA-N- Molecular formula
- C16H15N5S
- Average molar mass
- 309.4 g/mol
- Monoisotopic mass
- 309.10481667
Names & identifiers
- Preferred name
- Hydrazinecarbothioamide, N-(phenylmethyl)-2-(1-phthalazinyl)-
- IUPAC
- 1-benzyl-3-(phthalazin-1-ylamino)thiourea
Names & synonyms
61051-55-6N-Benzyl-2-(phthalazin-1-yl)hydrazinecarbothioamideHydrazinecarbothioamide, N-(phenylmethyl)-2-(1-phthalazinyl)-[benzylamino](2-phthalazinylhydrazino)methane-1-thioneDTXSID30423344AKOS001049037ST45024998Z45777024N-Benzyl-2-(phthalazin-1-yl)hydrazine-1-carbothioamide
Database identifiers
- CAS
61051-55-6- PubChem CID
- 6408944
- DTXSID
DTXSID30423344
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 94 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 358
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Compound notes
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