Basic information
- CAS
6573-59-7- Standard SMILES
C1CSSCCCSSC1- InChIKey
FKUFBOYVKKRORW-UHFFFAOYSA-N- Molecular formula
- C6H12S4
- Average molar mass
- 212.4 g/mol
- Monoisotopic mass
- 211.98218508
Names & identifiers
- Preferred name
- 1,2,6,7-Tetrathiecane
- IUPAC
- 1,2,6,7-tetrathiecane
- English name
- 1,2,6,7-tetrathiecane
- Molecular formula
- C6H12S4
- Molecular weight
- 212.42
Names & synonyms
6573-59-71,2,6,7-Tetrathiecane1,2,6,7-TetrathiacyclodecaneNSC237761,6,7-Tetrathiecane1,6,7-TetrathiacyclodecaneSCHEMBL16176163DTXSID40282000NSC-23776
Database identifiers
- CAS
6573-59-7- PubChem CID
- 229802
- DTXSID
DTXSID40282000- Nikkaji
- J986.747C
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 58.1
Physicochemical properties
- Melting point
- 71 · 71-72 °C(Solv: benzene (71-43-2))
- Boiling point
- 329.7 · 329.7±22.0 °C(Predicted)
- Density
- 1.211 · 1.211±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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