Basic information
- CAS
4475-72-3- Standard SMILES
CC1(C)SSC(C)(C)SS1- InChIKey
UYBPFKOKBLMDPV-UHFFFAOYSA-N- Molecular formula
- C6H12S4
- Average molar mass
- 212.4 g/mol
- Monoisotopic mass
- 211.98218508
Names & identifiers
- Preferred name
- 3,3,6,6-Tetramethyl-1,2,4,5-tetrathiane
- IUPAC
- 3,3,6,6-tetramethyl-1,2,4,5-tetrathiane
- English name
- 3,3,6,6-tetramethyl-1,2,4,5-tetrathiane
- Molecular formula
- C6H12S4
- Molecular weight
- 212.42
Names & synonyms
3,3,6,6-Tetramethyl-1,2,4,5-tetrathiane4475-72-3U9YPD2868RDUPLODITHIOACETONENSC 9076NSC-9076EINECS 224-751-0UNII-U9YPD2868RDTXSID001962951,2,4,5-Tetrathiane, 3,3,6,6-tetramethyl-S-TETRATHIANE, TETRAMETHYL-3,3,6,6-tetramethyl-S-tetrathiane
Show more names
3,3,6,6-Tetramethyl-1,2,4,5-tetrathiacyclohexane
S-TETRATHIANE, 3,3,6,6-TETRAMETHYL-RefChem:90759DTXCID10118786224-751-0NSC9076SCHEMBL15323663UYBPFKOKBLMDPV-UHFFFAOYSA-NNS00031455
Database identifiers
- CAS
4475-72-3- PubChem CID
- 73014
- DTXSID
DTXSID00196295- UNII
- U9YPD2868R
- EC Number
- 224-751-0
- Nikkaji
- J205.858H
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 102
Physicochemical properties
- Melting point
- 95 °C · 95 °C(Solv: ethanol (64-17-5); ethyl ether (60-29-7))
- Boiling point
- 273.1 · 273.1±20.0 °C(Predicted)
- Density
- 1.172 · 1.172±0.06 g/cm3(Predicted)
- FDA UNII
- 9 YPD2868R · U9YPD2868R
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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