Basic information
- CAS
50823-54-6- Standard SMILES
COc1cc2c(c(OC)c1OC)C/C(=N\NC(N)=S)CCC2- InChIKey
XXDOBLSPYAARGH-YVLHZVERSA-N- Molecular formula
- C15H21N3O3S
- Average molar mass
- 323.4 g/mol
- Monoisotopic mass
- 323.13036271
Names & identifiers
- Preferred name
- Hydrazinecarbothioamide, 2-(5,7,8,9-tetrahydro-2,3,4-trimethoxy-6H-benzocyclohepten-6-ylidene)-
- IUPAC
- [(Z)-(2,3,4-trimethoxy-5,7,8,9-tetrahydrobenzo[7]annulen-6-ylidene)amino]thiourea
Names & synonyms
Hydrazinecarbothioamide, 2-(5,7,8,9-tetrahydro-2,3,4-trimethoxy-6H-benzocyclohepten-6-ylidene)-50823-54-6RefChem:10869006-Thiosemicarbazono-2,3,4-trimethoxybenzocycloheptane2-(5,7,8,9-Tetrahydro-2,3,4-trimethoxy-6H-benzocyclohepten-6-ylidene)hydrazinecarbothioamide
Database identifiers
- CAS
50823-54-6- PubChem CID
- 6509883
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 419
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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