4-Phenyl-phthalazine-1-thiol
Basic information
- CAS
35392-60-0- Standard SMILES
S=c1[nH]nc(-c2ccccc2)c2ccccc12- InChIKey
BVCRPTIUWPVUQA-UHFFFAOYSA-N- Molecular formula
- C14H10N2S
- Average molar mass
- 238.31 g/mol
- Monoisotopic mass
- 238.0564695
Names & identifiers
- Preferred name
- 4-Phenyl-phthalazine-1-thiol
- IUPAC
- 4-phenyl-2H-phthalazine-1-thione
- English name
- 4-Phenyl-phthalazine-1-thiol
- Molecular formula
- C14H10N2S
- Molecular weight
- 0
Names & synonyms
4-Phenyl-phthalazine-1-thiol35392-60-0DTXSID30350560RefChem:295504DTXCID203016274-phenylphthalazine-1-thiol4-Phenyl-2H-phthalazine-1-thione4-Phenyl-1(2H)-phthalazinethione4-Phenylphthalazine-1(2H)-thioneCBMicro_009791MLS000711695orb3022609
Show more names
4-Phenyl-1-phthalazinethiol
SCHEMBL7657206CHEMBL1487420TPL0454BVCRPTIUWPVUQA-UHFFFAOYSA-NHMS2644M14SMSF0009876STK9221634-phenyl-2-hydrophthalazine-1-thione
Database identifiers
- CAS
35392-60-0- PubChem CID
- 682602
- DTXSID
DTXSID30350560- ChEMBL
CHEMBL1487420- Nikkaji
- J338.223K
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 56.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 331
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Related reactions
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Compound notes
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