2-(2,4-dichlorophenyl)-1,3-dithiane

C10H10Cl2S2 — CID 25111861

IUPAC2-(2,4-dichlorophenyl)-1,3-dithiane
SMILESClc1ccc(C2SCCCS2)c(Cl)c1
InChIInChI=1S/C10H10Cl2S2/c11-7-2-3-8(9(12)6-7)10-13-4-1-5-14-10/h2-3,6,10H,1,4-5H2
InChIKeyJLPOAPDRRRJHNO-UHFFFAOYSA-N
MW265.23 g/mol
LogP4.86
Rot. Bonds1

About 2-(2,4-dichlorophenyl)-1,3-dithiane

2-(2,4-dichlorophenyl)-1,3-dithiane (PubChem CID 25111861) has the molecular formula C10H10Cl2S2 and a molecular weight of 265.23 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-1,3-dithiane.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-1,3-dithiane
PubChem CID25111861
Molecular FormulaC10H10Cl2S2
Molecular Weight265.23 g/mol
Exact Mass263.96
IUPAC Name2-(2,4-dichlorophenyl)-1,3-dithiane
SMILESClc1ccc(C2SCCCS2)c(Cl)c1
InChIInChI=1S/C10H10Cl2S2/c11-7-2-3-8(9(12)6-7)10-13-4-1-5-14-10/h2-3,6,10H,1,4-5H2
InChIKeyJLPOAPDRRRJHNO-UHFFFAOYSA-N
XLogP4.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-1,3-dithiane?
The IUPAC name of 2-(2,4-dichlorophenyl)-1,3-dithiane (CID 25111861) is 2-(2,4-dichlorophenyl)-1,3-dithiane.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-1,3-dithiane?
The canonical SMILES for 2-(2,4-dichlorophenyl)-1,3-dithiane is Clc1ccc(C2SCCCS2)c(Cl)c1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-1,3-dithiane?
The InChIKey is JLPOAPDRRRJHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2S2/c11-7-2-3-8(9(12)6-7)10-13-4-1-5-14-10/h2-3,6,10H,1,4-5H2.
What are the key properties of 2-(2,4-dichlorophenyl)-1,3-dithiane?
2-(2,4-dichlorophenyl)-1,3-dithiane has a molecular weight of 265.23 g/mol, XLogP of 4.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-1,3-dithiane is sourced from PubChem (CID 25111861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).