Basic information
- CAS
1850378-94-7- Standard SMILES
C/C(=N\NC(N)=S)c1ccc(Br)cc1- InChIKey
OKNJXRBJRXAECS-WUXMJOGZSA-N- Molecular formula
- C9H10BrN3S
- Average molar mass
- 272.17 g/mol
- Monoisotopic mass
- 270.97788
Names & identifiers
- Preferred name
- (2E)-2-[1-(4-bromophenyl)ethylidene]hydrazinecarbothioamide
- IUPAC
- [(E)-1-(4-bromophenyl)ethylideneamino]thiourea
Names & synonyms
16546-06-82-[1-(4-bromophenyl)ethylidene]hydrazine-1-carbothioamide(2E)-2-[1-(4-bromophenyl)ethylidene]hydrazinecarbothioamide{[(1E)-2-(4-bromophenyl)-1-azaprop-1-enyl]amino}aminomethane-1-thioneNSC-521067E956Z5UYA4CHEMBL6145439HMS561L16OKNJXRBJRXAECS-WUXMJOGZSA-NSBB001069STK7309124'-Bromoacetophenone thiosemicarbazone
Show more names
AKOS001711854CCG-245820NCGC00332301-011850378-94-7ST016476[1-(4-bromophenyl)ethylideneamino]thioureaAcetophenone, 4'-bromo-, thiosemicarbazoneAB01326479-02
Database identifiers
- CAS
1850378-94-7- PubChem CID
- 5396397
- ChEMBL
CHEMBL6145439- UNII
- E956Z5UYA4
- Nikkaji
- J2.088.210G
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 82.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 234
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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