O~1~,O~4~-Dipropan-2-yl tetrasulfane-1,4-dicarbothioate
Basic information
- CAS
69303-50-0- Standard SMILES
CC(C)OC(=S)SSSSC(=S)OC(C)C- InChIKey
MLJOCCOPXPSSGC-UHFFFAOYSA-N- Molecular formula
- C8H14O2S6
- Average molar mass
- 334.6 g/mol
- Monoisotopic mass
- 333.93180673
Names & identifiers
- Preferred name
- O~1~,O~4~-Dipropan-2-yl tetrasulfane-1,4-dicarbothioate
- IUPAC
- O-propan-2-yl (propan-2-yloxycarbothioyltetrasulfanyl)methanethioate
- English name
- Diisopropylxanthogen tetrasulfide
- Molecular formula
- C8H14O2S6
- Molecular weight
- 334.59
Names & synonyms
69303-50-0RMA32QM6LVNSC-402567Diisopropyl xanthogen tetrasulfideUNII-RMA32QM6LVBis(isopropoxythiocarbonyl) tetrasulfideDIISOPROPYLXANTHOGEN TETRASULFIDEMethanethioic acid, tetrathiobis-, O,O-bis(1-methylethyl) esterMethanethioic acid, 1,1'-tetrathiobis-, O1,O1'-bis(1-methylethyl) esterNSC402567SCHEMBL15828373DTXSID60322972
Show more names
UH100O-propan-2-yl (propan-2-yloxycarbothioyltetrasulfanyl)methanethioateMethanethioic acid,1,1'-tetrathiobis-, O1,O1'-bis(1-methylethyl) esterMethanethioic acid,1,1'-tetrathiobis-, O1,O1'-bis(1-methylethyl) ester
O~1~,O~4~-Dipropan-2-yl tetrasulfane-1,4-dicarbothioateO~1~,O~4~-Di(propan-2-yl) tetrasulfane-1,4-dicarbothioate
Database identifiers
- CAS
69303-50-0- PubChem CID
- 345159
- DTXSID
DTXSID60322972- UNII
- RMA32QM6LV
- Nikkaji
- J2.274.520D
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 184 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 207
Physicochemical properties
- Boiling point
- 398.5 · 398.5±25.0 °C(Predicted)
- Density
- 1.394 · 1.394±0.06 g/cm3(Predicted)
- InChI
- InChI=1S/C8H14O2S6/c1-5(2)9-7(11)13-15-16-14-8(12)10-6(3)4/h5-6H,1-4H3
- InChIKey
- MLJOCCOPXPSSGC-UHFFFAOYSA-N
- SMILES
- S(C(=S)OC(C)C)SSSC(=S)OC(C)C
- FDA UNII
- 32 QM6LV · RMA32QM6LV
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationMethanethioic acid, 1,1'-tetrathiobis-, O1,O1'-bis(1-methylethyl) ester: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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