1,2,3,4,5-Pentachloro-6-[4-methylsulfanyl-1,1-bis[(2,3,4,5,6-pentachlorophenyl)sulfanyl]but-1-en-3-yn-2-yl]sulfanylbenzene
Basic information
- CAS
64672-73-7- Standard SMILES
CSC#CC(Sc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)=C(Sc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)Sc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl- InChIKey
PFRNLBRPTGJCAC-UHFFFAOYSA-N- Molecular formula
- C23H3Cl15S4
- Average molar mass
- 939.3 g/mol
- Monoisotopic mass
- 931.44455
Names & identifiers
- Preferred name
- 1,2,3,4,5-Pentachloro-6-[4-methylsulfanyl-1,1-bis[(2,3,4,5,6-pentachlorophenyl)sulfanyl]but-1-en-3-yn-2-yl]sulfanylbenzene
- IUPAC
- 1,2,3,4,5-pentachloro-6-[4-methylsulfanyl-1,1-bis[(2,3,4,5,6-pentachlorophenyl)sulfanyl]but-1-en-3-yn-2-yl]sulfanylbenzene
Names & synonyms
64672-73-7NSC2941831,2,3,4,5-pentachloro-6-[4-methylsulfanyl-1,1-bis[(2,3,4,5,6-pentachlorophenyl)sulfanyl]but-1-en-3-yn-2-yl]sulfanylbenzeneDTXSID00315363NSC-2941831,1',1''-{[4-(Methylsulfanyl)but-1-en-3-yne-1,1,2-triyl]tris(sulfanediyl)}tris(2,3,4,5,6-pentachlorobenzene)
Database identifiers
- CAS
64672-73-7- PubChem CID
- 325440
- DTXSID
DTXSID00315363
Properties
Computed structural properties
- XLogP
- 17.5
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 936
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Compound notes
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