1-isocyano-3-(methylsulfanyl)benzene
Structure Info
- Chemspace ID
- CSMB00000081454 (Enamine MADE)
- CAS
- 730964-95-1
- MFCD
- MFCD04117593
- IUPAC Name
- 1-isocyano-3-(methylsulfanyl)benzene
- Mol formula
- C8H7NS
- Mol weight
- 149 Da
- Catalog Number(s)
- A803201, BBV-38285434, CSC000081454, EN300-1176925, IMED3227138598
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 0.33
- Heavy atoms count
- 10
- Rotatable bond count
- 1
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.125
- Polar surface area (Å)
- 4
- Hydrogen bond acceptors count
- 0
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB00000081454
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