Benzene, [(2,2,3,3-tetramethylcyclopropyl)thio]-
Basic information
- CAS
100045-89-4- Standard SMILES
CC1(C)C(Sc2ccccc2)C1(C)C- InChIKey
IHOCMMHWEWKLHX-UHFFFAOYSA-N- Molecular formula
- C13H18S
- Average molar mass
- 206.35 g/mol
- Monoisotopic mass
- 206.11292175
Names & identifiers
- Preferred name
- Benzene, [(2,2,3,3-tetramethylcyclopropyl)thio]-
- IUPAC
- (2,2,3,3-tetramethylcyclopropyl)sulfanylbenzene
Names & synonyms
100045-89-4Benzene, [(2,2,3,3-tetramethylcyclopropyl)thio]-(2,2,3,3-tetramethylcyclopropyl)sulfanylbenzene[(2,2,3,3-Tetramethylcyclopropyl)sulfanyl]benzeneDTXSID60544314
Database identifiers
- CAS
100045-89-4- PubChem CID
- 13582003
- DTXSID
DTXSID60544314- Nikkaji
- J2.028.278I
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 197
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Compound notes
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