1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)sulfanylethenyl]sulfanylbenzene

C14H8Cl4S2 — CID 13156717

IUPAC1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)sulfanylethenyl]sulfanylbenzene
SMILESClC(Cl)=C(Sc1ccc(Cl)cc1)Sc1ccc(Cl)cc1
InChIInChI=1S/C14H8Cl4S2/c15-9-1-5-11(6-2-9)19-14(13(17)18)20-12-7-3-10(16)4-8-12/h1-8H
InChIKeyVOZZQIDIRIAYMM-UHFFFAOYSA-N
MW382.16 g/mol
LogP7.48
Rot. Bonds4

About 1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)sulfanylethenyl]sulfanylbenzene

1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)sulfanylethenyl]sulfanylbenzene (PubChem CID 13156717) has the molecular formula C14H8Cl4S2 and a molecular weight of 382.16 g/mol. Its IUPAC name is 1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)sulfanylethenyl]sulfanylbenzene.

Molecular Properties

Compound Name1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)sulfanylethenyl]sulfanylbenzene
PubChem CID13156717
Molecular FormulaC14H8Cl4S2
Molecular Weight382.16 g/mol
Exact Mass379.88
IUPAC Name1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)sulfanylethenyl]sulfanylbenzene
SMILESClC(Cl)=C(Sc1ccc(Cl)cc1)Sc1ccc(Cl)cc1
InChIInChI=1S/C14H8Cl4S2/c15-9-1-5-11(6-2-9)19-14(13(17)18)20-12-7-3-10(16)4-8-12/h1-8H
InChIKeyVOZZQIDIRIAYMM-UHFFFAOYSA-N
XLogP7.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.16
LogP ≤ 57.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)sulfanylethenyl]sulfanylbenzene?
The IUPAC name of 1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)sulfanylethenyl]sulfanylbenzene (CID 13156717) is 1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)sulfanylethenyl]sulfanylbenzene.
What is the SMILES notation for 1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)sulfanylethenyl]sulfanylbenzene?
The canonical SMILES for 1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)sulfanylethenyl]sulfanylbenzene is ClC(Cl)=C(Sc1ccc(Cl)cc1)Sc1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)sulfanylethenyl]sulfanylbenzene?
The InChIKey is VOZZQIDIRIAYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl4S2/c15-9-1-5-11(6-2-9)19-14(13(17)18)20-12-7-3-10(16)4-8-12/h1-8H.
What are the key properties of 1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)sulfanylethenyl]sulfanylbenzene?
1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)sulfanylethenyl]sulfanylbenzene has a molecular weight of 382.16 g/mol, XLogP of 7.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)sulfanylethenyl]sulfanylbenzene is sourced from PubChem (CID 13156717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).