Basic information
- Standard SMILES
S=C(NN=Cc1cccnc1)NC1CC2C=CC1C2- InChIKey
FGYUVYMXGWYTFS-UHFFFAOYSA-N- Molecular formula
- C14H16N4S
- Average molar mass
- 272.37 g/mol
Names & identifiers
- Preferred name
- 4-(Bicyclo[2.2.1]hept-5-en-2-yl)-1-(pyridin-3-ylmethylidene)thiosemicarbazide
- IUPAC
- 1-(2-bicyclo[2.2.1]hept-5-enyl)-3-(pyridin-3-ylmethylideneamino)thiourea
Names & synonyms
SCHEMBL5181728FGYUVYMXGWYTFS-UHFFFAOYSA-N4-(Bicyclo[2.2. l]hept-5-en-2-yl)-1-(pyridin-3-ylmethylidene)thiosemicarbazide4-(Bicyclo[2.2.1]hept-5-en-2-yl)-1-(pyridin-3-ylmethylidene)thiosemicarbazide
Database identifiers
- PubChem CID
- 2803786
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 393
Related reactions
2 records
Compound notes
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