2,6-Dimethyl-3,5-dithiaheptane
Basic information
- CAS
18068-25-2- Standard SMILES
CC(C)SCSC(C)C- InChIKey
HMAOEBFDZJFBII-UHFFFAOYSA-N- Molecular formula
- C7H16S2
- Average molar mass
- 164.3 g/mol
- Monoisotopic mass
- 164.06934286
Names & identifiers
- Preferred name
- 2,6-Dimethyl-3,5-dithiaheptane
- IUPAC
- 2-(propan-2-ylsulfanylmethylsulfanyl)propane
Names & synonyms
2,6-dimethyl-3,5-dithiaheptane18068-25-2DTXSID40335484RefChem:248466DTXCID90286573HMAOEBFDZJFBII-UHFFFAOYSA-NSCHEMBL8687814SCHEMBL117581082-({[(Propan-2-yl)sulfanyl]methyl}sulfanyl)propane
Database identifiers
- CAS
18068-25-2- PubChem CID
- 525391
- DTXSID
DTXSID40335484- Nikkaji
- J2.629.892J
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 51.9
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Compound notes
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