1,2-dichloro-4-[(Z)-2-(3,4-dichlorophenyl)sulfanylethenyl]sulfanylbenzene

C14H8Cl4S2 — CID 166448052

IUPAC1,2-dichloro-4-[(Z)-2-(3,4-dichlorophenyl)sulfanylethenyl]sulfanylbenzene
SMILESClc1ccc(S/C=C\Sc2ccc(Cl)c(Cl)c2)cc1Cl
InChIInChI=1S/C14H8Cl4S2/c15-11-3-1-9(7-13(11)17)19-5-6-20-10-2-4-12(16)14(18)8-10/h1-8H/b6-5-
InChIKeyXTRNGTQEHGNGEI-WAYWQWQTSA-N
MW382.16 g/mol
LogP7.66
Rot. Bonds4

About 1,2-dichloro-4-[(Z)-2-(3,4-dichlorophenyl)sulfanylethenyl]sulfanylbenzene

1,2-dichloro-4-[(Z)-2-(3,4-dichlorophenyl)sulfanylethenyl]sulfanylbenzene (PubChem CID 166448052) has the molecular formula C14H8Cl4S2 and a molecular weight of 382.16 g/mol. Its IUPAC name is 1,2-dichloro-4-[(Z)-2-(3,4-dichlorophenyl)sulfanylethenyl]sulfanylbenzene.

Molecular Properties

Compound Name1,2-dichloro-4-[(Z)-2-(3,4-dichlorophenyl)sulfanylethenyl]sulfanylbenzene
PubChem CID166448052
Molecular FormulaC14H8Cl4S2
Molecular Weight382.16 g/mol
Exact Mass379.88
IUPAC Name1,2-dichloro-4-[(Z)-2-(3,4-dichlorophenyl)sulfanylethenyl]sulfanylbenzene
SMILESClc1ccc(S/C=C\Sc2ccc(Cl)c(Cl)c2)cc1Cl
InChIInChI=1S/C14H8Cl4S2/c15-11-3-1-9(7-13(11)17)19-5-6-20-10-2-4-12(16)14(18)8-10/h1-8H/b6-5-
InChIKeyXTRNGTQEHGNGEI-WAYWQWQTSA-N
XLogP7.66
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 ≤ 57.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-[(Z)-2-(3,4-dichlorophenyl)sulfanylethenyl]sulfanylbenzene?
The IUPAC name of 1,2-dichloro-4-[(Z)-2-(3,4-dichlorophenyl)sulfanylethenyl]sulfanylbenzene (CID 166448052) is 1,2-dichloro-4-[(Z)-2-(3,4-dichlorophenyl)sulfanylethenyl]sulfanylbenzene.
What is the SMILES notation for 1,2-dichloro-4-[(Z)-2-(3,4-dichlorophenyl)sulfanylethenyl]sulfanylbenzene?
The canonical SMILES for 1,2-dichloro-4-[(Z)-2-(3,4-dichlorophenyl)sulfanylethenyl]sulfanylbenzene is Clc1ccc(S/C=C\Sc2ccc(Cl)c(Cl)c2)cc1Cl.
What is the InChIKey of 1,2-dichloro-4-[(Z)-2-(3,4-dichlorophenyl)sulfanylethenyl]sulfanylbenzene?
The InChIKey is XTRNGTQEHGNGEI-WAYWQWQTSA-N. The full InChI is InChI=1S/C14H8Cl4S2/c15-11-3-1-9(7-13(11)17)19-5-6-20-10-2-4-12(16)14(18)8-10/h1-8H/b6-5-.
What are the key properties of 1,2-dichloro-4-[(Z)-2-(3,4-dichlorophenyl)sulfanylethenyl]sulfanylbenzene?
1,2-dichloro-4-[(Z)-2-(3,4-dichlorophenyl)sulfanylethenyl]sulfanylbenzene has a molecular weight of 382.16 g/mol, XLogP of 7.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-[(Z)-2-(3,4-dichlorophenyl)sulfanylethenyl]sulfanylbenzene is sourced from PubChem (CID 166448052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).