Ethanethioamide, 2-cyano-2-cyclohexylidene-
Basic information
- CAS
129224-53-9- Standard SMILES
N#CC(C(N)=S)=C1CCCCC1- InChIKey
ZWPSRIGCBBYTDD-UHFFFAOYSA-N- Molecular formula
- C9H12N2S
- Average molar mass
- 180.27 g/mol
- Monoisotopic mass
- 180.07211956
Names & identifiers
- Preferred name
- Ethanethioamide, 2-cyano-2-cyclohexylidene-
- IUPAC
- 2-cyano-2-cyclohexylideneethanethioamide
- English name
- Ethanethioamide, 2-cyano-2-cyclohexylidene-
- Molecular formula
- C9H12N2S
- Molecular weight
- 180.26998
Names & synonyms
129224-53-9Ethanethioamide, 2-cyano-2-cyclohexylidene-DTXSID30354205RefChem:340197DTXCID203052662-cyano-2-cyclohexylideneethanethioamideCyano(cyclohexylidene)ethanethioamideOprea1_584019cyclohexylidenecyanothioacetamideHMS1607L18EFA22453AKOS001085126
Show more names
2-cyano-2-cyclohexylidene-thioacetamideNCGC00341360-01CS-0237117EN300-17820G33563AB01103742-03AH-034/08822049SR-01000395689
Database identifiers
- CAS
129224-53-9- PubChem CID
- 766385
- DTXSID
DTXSID30354205- Nikkaji
- J947.119G
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 81.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 261
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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