2,5-bis(4-chlorophenyl)-1,4-dithiine

C16H10Cl2S2 — CID 630719

IUPAC2,5-bis(4-chlorophenyl)-1,4-dithiine
SMILESClc1ccc(C2=CSC(c3ccc(Cl)cc3)=CS2)cc1
InChIInChI=1S/C16H10Cl2S2/c17-13-5-1-11(2-6-13)15-9-20-16(10-19-15)12-3-7-14(18)8-4-12/h1-10H
InChIKeyYEISRKIONCELHP-UHFFFAOYSA-N
MW337.30 g/mol
LogP6.77
Rot. Bonds2

About 2,5-bis(4-chlorophenyl)-1,4-dithiine

2,5-bis(4-chlorophenyl)-1,4-dithiine (PubChem CID 630719) has the molecular formula C16H10Cl2S2 and a molecular weight of 337.30 g/mol. Its IUPAC name is 2,5-bis(4-chlorophenyl)-1,4-dithiine.

Molecular Properties

Compound Name2,5-bis(4-chlorophenyl)-1,4-dithiine
PubChem CID630719
Molecular FormulaC16H10Cl2S2
Molecular Weight337.30 g/mol
Exact Mass335.96
IUPAC Name2,5-bis(4-chlorophenyl)-1,4-dithiine
SMILESClc1ccc(C2=CSC(c3ccc(Cl)cc3)=CS2)cc1
InChIInChI=1S/C16H10Cl2S2/c17-13-5-1-11(2-6-13)15-9-20-16(10-19-15)12-3-7-14(18)8-4-12/h1-10H
InChIKeyYEISRKIONCELHP-UHFFFAOYSA-N
XLogP6.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.30
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Chlorbenside
CID 7639
Fluorbenside
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2,4-Dichloro-1-(((2,4-dichlorobenzyl)thio)methyl)benzene
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1-(Benzenesulfinylmethyl)-4-chlorobenzene
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1-Chloro-2-[[(2-chlorophenyl)methyltrisulfanyl]methyl]benzene
CID 11667388
1,3-Di(4-chloro-benzyl)trisulfane
CID 44416171
4,4'-Dichloro-trans-stilbene
CID 5352400
2-(4'-Chlorophenyl)-2-methyl-1,3-dithiolane
CID 22739
(4-Chlorophenyl)methyl thiocyanate
CID 96152
2-(4-Chlorophenyl)-1,3-dithiane
CID 25199
2-(4-Chlorophenyl)-1,3-dithiolane
CID 31710
1-Chloro-4-[(methylthio)methyl]benzene
CID 80025

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(4-chlorophenyl)-1,4-dithiine?
The IUPAC name of 2,5-bis(4-chlorophenyl)-1,4-dithiine (CID 630719) is 2,5-bis(4-chlorophenyl)-1,4-dithiine.
What is the SMILES notation for 2,5-bis(4-chlorophenyl)-1,4-dithiine?
The canonical SMILES for 2,5-bis(4-chlorophenyl)-1,4-dithiine is Clc1ccc(C2=CSC(c3ccc(Cl)cc3)=CS2)cc1.
What is the InChIKey of 2,5-bis(4-chlorophenyl)-1,4-dithiine?
The InChIKey is YEISRKIONCELHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2S2/c17-13-5-1-11(2-6-13)15-9-20-16(10-19-15)12-3-7-14(18)8-4-12/h1-10H.
What are the key properties of 2,5-bis(4-chlorophenyl)-1,4-dithiine?
2,5-bis(4-chlorophenyl)-1,4-dithiine has a molecular weight of 337.30 g/mol, XLogP of 6.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(4-chlorophenyl)-1,4-dithiine is sourced from PubChem (CID 630719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).