1,4-dichloro-2-(2-ethenylsulfonylethenylsulfanyl)benzene

C10H8Cl2O2S2 — CID 71395872

IUPAC1,4-dichloro-2-(2-ethenylsulfonylethenylsulfanyl)benzene
SMILESC=CS(=O)(=O)C=CSc1cc(Cl)ccc1Cl
InChIInChI=1S/C10H8Cl2O2S2/c1-2-16(13,14)6-5-15-10-7-8(11)3-4-9(10)12/h2-7H,1H2
InChIKeyTWSQAPMPQILWQB-UHFFFAOYSA-N
MW295.21 g/mol
LogP4.11
Rot. Bonds4

About 1,4-dichloro-2-(2-ethenylsulfonylethenylsulfanyl)benzene

1,4-dichloro-2-(2-ethenylsulfonylethenylsulfanyl)benzene (PubChem CID 71395872) has the molecular formula C10H8Cl2O2S2 and a molecular weight of 295.21 g/mol. Its IUPAC name is 1,4-dichloro-2-(2-ethenylsulfonylethenylsulfanyl)benzene.

Molecular Properties

Compound Name1,4-dichloro-2-(2-ethenylsulfonylethenylsulfanyl)benzene
PubChem CID71395872
Molecular FormulaC10H8Cl2O2S2
Molecular Weight295.21 g/mol
Exact Mass293.93
IUPAC Name1,4-dichloro-2-(2-ethenylsulfonylethenylsulfanyl)benzene
SMILESC=CS(=O)(=O)C=CSc1cc(Cl)ccc1Cl
InChIInChI=1S/C10H8Cl2O2S2/c1-2-16(13,14)6-5-15-10-7-8(11)3-4-9(10)12/h2-7H,1H2
InChIKeyTWSQAPMPQILWQB-UHFFFAOYSA-N
XLogP4.11
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.21
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4-dichloro-2-(2-ethenylsulfonylethenylsulfanyl)benzene?
The IUPAC name of 1,4-dichloro-2-(2-ethenylsulfonylethenylsulfanyl)benzene (CID 71395872) is 1,4-dichloro-2-(2-ethenylsulfonylethenylsulfanyl)benzene.
What is the SMILES notation for 1,4-dichloro-2-(2-ethenylsulfonylethenylsulfanyl)benzene?
The canonical SMILES for 1,4-dichloro-2-(2-ethenylsulfonylethenylsulfanyl)benzene is C=CS(=O)(=O)C=CSc1cc(Cl)ccc1Cl.
What is the InChIKey of 1,4-dichloro-2-(2-ethenylsulfonylethenylsulfanyl)benzene?
The InChIKey is TWSQAPMPQILWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2O2S2/c1-2-16(13,14)6-5-15-10-7-8(11)3-4-9(10)12/h2-7H,1H2.
What are the key properties of 1,4-dichloro-2-(2-ethenylsulfonylethenylsulfanyl)benzene?
1,4-dichloro-2-(2-ethenylsulfonylethenylsulfanyl)benzene has a molecular weight of 295.21 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dichloro-2-(2-ethenylsulfonylethenylsulfanyl)benzene is sourced from PubChem (CID 71395872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).