Basic information
- CAS
60698-40-0- Standard SMILES
NC(=S)NN=Cc1ccc(-c2ccc(Cl)cc2)o1- InChIKey
OYEQJQNRMFKNDG-UHFFFAOYSA-N- Molecular formula
- C12H10ClN3OS
- Average molar mass
- 279.75 g/mol
- Monoisotopic mass
- 279.0233108
Names & identifiers
- Preferred name
- Hydrazinecarbothioamide, 2-[[5-(4-chlorophenyl)-2-furanyl]methylene]-
- IUPAC
- [[5-(4-chlorophenyl)furan-2-yl]methylideneamino]thiourea
Names & synonyms
Hydrazinecarbothioamide, 2-[[5-(4-chlorophenyl)-2-furanyl]methylene]-60698-40-0[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]thioureaSCHEMBL43267422-((5-(4-Chlorophenyl)furan-2-yl)methylene)hydrazine-1-carbothioamideDTXSID40357060AKOS0172636552-{[5-(4-Chlorophenyl)furan-2-yl]methylidene}hydrazine-1-carbothioamide
Database identifiers
- CAS
60698-40-0- PubChem CID
- 841815
- DTXSID
DTXSID40357060
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 95.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 318
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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