Basic information
- CAS
67330-54-5- Standard SMILES
CCc1cccc(C(C)C)c1N=C=S- InChIKey
HCOAPUYALIBFCM-UHFFFAOYSA-N- Molecular formula
- C12H15NS
- Average molar mass
- 205.32 g/mol
- Monoisotopic mass
- 205.09252048
Names & identifiers
- Preferred name
- 2-Ethyl-6-isopropylphenyl isothiocyanate
- IUPAC
- 1-ethyl-2-isothiocyanato-3-propan-2-ylbenzene
- English name
- 2-Ethyl-6-isopropylphenyl isothiocyanate
- Molecular formula
- C12H15NS
- Molecular weight
- 205.32
Names & synonyms
2-Ethyl-6-isopropylphenyl isothiocyanate67330-54-5DTXSID50217681RefChem:86922DTXCID00140172HCOAPUYALIBFCM-UHFFFAOYSA-NSCHEMBL14574862-ethyl-6-isopropylphenyl-isothiocyanate1-Ethyl-3-isopropyl-2-isothiocyanatobenzene1-Ethyl-3-isopropyl-2-isothiocyanatobenzene #1-Ethyl-2-isothiocyanato-3-(propan-2-yl)benzeneBenzene, 1-ethyl-2-isothiocyanato-3-(1-methylethyl)-
Database identifiers
- CAS
67330-54-5- PubChem CID
- 144234
- DTXSID
DTXSID50217681
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 44.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 218
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
5 records
Compound notes
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