Basic information
- CAS
30221-55-7- Standard SMILES
CC1=CC(=S)CC(C)(C)C1- InChIKey
HSIJIQCRRNEKDV-UHFFFAOYSA-N- Molecular formula
- C9H14S
- Average molar mass
- 154.27 g/mol
- Monoisotopic mass
- 154.08162162
Names & identifiers
- Preferred name
- 2-Cyclohexene-1-thione, 3,5,5-trimethyl-
- IUPAC
- 3,5,5-trimethylcyclohex-2-ene-1-thione
- English name
- 1,5,5-Trimethylcyclohexene-3-thione
- Molecular formula
- C9H14S
- Molecular weight
- 154.27
Names & synonyms
2-Cyclohexene-1-thione, 3,5,5-trimethyl-3,5,5-Trimethyl-2-cyclohexenethione30221-55-7DTXSID90343099RefChem:259858DTXCID50294179HSIJIQCRRNEKDV-UHFFFAOYSA-N3,5,5-trimethylcyclohex-2-ene-1-thione1,5,5-Trimethylcyclohexene-3-thioneSCHEMBL50784973,5,5-Trimethyl-2-cyclohexene-1-thione #3,5,5-Trimethyl-2-cyclohexene-1-thione
Database identifiers
- CAS
30221-55-7- PubChem CID
- 587448
- DTXSID
DTXSID90343099- Nikkaji
- J141.813K
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 32.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 187
Physicochemical properties
- Boiling point
- 202.8 · 202.8±33.0 °C(Predicted)
- Density
- 0.97 · 0.97±0.1 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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