Basic information
- CAS
52444-01-6- Standard SMILES
CC(C)(CCl)SC(C)(C)CCl- InChIKey
RMVHJVHBSPPNJW-UHFFFAOYSA-N- Molecular formula
- C8H16Cl2S
- Average molar mass
- 215.18 g/mol
- Monoisotopic mass
- 214.0349771
Names & identifiers
- Preferred name
- Sulfide, bis(2-chloromethyl-2-propyl)-
- IUPAC
- 1-chloro-2-(1-chloro-2-methylpropan-2-yl)sulfanyl-2-methylpropane
- English name
- Bis(1-chloromethyl-1-methylethyl) sulfide
- Molecular formula
- C8H16Cl2S
- Molecular weight
- 215.18
Names & synonyms
Sulfide, bis(2-chloromethyl-2-propyl)-52444-01-6BRN 2345364Propane, 2,2'-thiobis(1-chloro-2-methyl-Bis(1-chloromethyl-1-methylethyl) sulfidealpha,alpha,alpha',alpha'-Tetramethyl-beta,beta'-bischloroethyl sulfideDTXSID402004461-CHLORO-2-[(1-CHLORO-2-METHYLPROPAN-2-YL)SULFANYL]-2-METHYLPROPANEDB-307650Propane, 2,2'-thiobis[1-chloro-2-methyl- (9CI)
Database identifiers
- CAS
52444-01-6- PubChem CID
- 148586
- DTXSID
DTXSID40200446- Nikkaji
- J90.657C
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 107
Physicochemical properties
- Boiling point
- 118 °C · 118°C (rough estimate)
- Density
- 1.0887 · 1.0887 (estimate)
- Toxicity
- 30 mmol/L · dnd-ckn:leu 30 mmol/L TELEAY (29),2477,75
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- dnd-ckn:leu 30 mmol/L TELEAY (29),2477,75
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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