2,6-bis(4-chlorophenyl)-1,4-dithiane

C16H14Cl2S2 — CID 11210011

IUPAC2,6-bis(4-chlorophenyl)-1,4-dithiane
SMILESClc1ccc(C2CSCC(c3ccc(Cl)cc3)S2)cc1
InChIInChI=1S/C16H14Cl2S2/c17-13-5-1-11(2-6-13)15-9-19-10-16(20-15)12-3-7-14(18)8-4-12/h1-8,15-16H,9-10H2
InChIKeyYHZQZFBHOWYUKC-UHFFFAOYSA-N
MW341.33 g/mol
LogP6.26
Rot. Bonds2

About 2,6-bis(4-chlorophenyl)-1,4-dithiane

2,6-bis(4-chlorophenyl)-1,4-dithiane (PubChem CID 11210011) has the molecular formula C16H14Cl2S2 and a molecular weight of 341.33 g/mol. Its IUPAC name is 2,6-bis(4-chlorophenyl)-1,4-dithiane.

Molecular Properties

Compound Name2,6-bis(4-chlorophenyl)-1,4-dithiane
PubChem CID11210011
Molecular FormulaC16H14Cl2S2
Molecular Weight341.33 g/mol
Exact Mass339.99
IUPAC Name2,6-bis(4-chlorophenyl)-1,4-dithiane
SMILESClc1ccc(C2CSCC(c3ccc(Cl)cc3)S2)cc1
InChIInChI=1S/C16H14Cl2S2/c17-13-5-1-11(2-6-13)15-9-19-10-16(20-15)12-3-7-14(18)8-4-12/h1-8,15-16H,9-10H2
InChIKeyYHZQZFBHOWYUKC-UHFFFAOYSA-N
XLogP6.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.33
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3R)-2,3-bis(4-chlorophenyl)thiirane
CID 11312048
6-chloro-2-(4-chlorophenyl)-3,4-dihydro-2H-thiochromene
CID 54133109
2-(4-chlorophenyl)-1,3-dithian-5-amine
CID 86118123
5-(4-chlorophenyl)thiomorpholin-3-one
CID 105485089
2-(4-chlorophenyl)-3,4-dihydro-2H-1,4-benzothiazine
CID 13071524
4-(4-chlorophenyl)cyclohexan-1-one
CID 14617880
trans-(1S,2R)-2-(4-chlorophenyl)cyclohexan-1-ol
CID 94503733
trans-(1R,2S)-2-(4-chlorophenyl)cyclopropan-1-amine
CID 39236206
3-(4-chlorophenyl)oxetane
CID 130113875
(2S,3R)-2,3-bis(4-chlorophenyl)-1,4-dioxane
CID 71365494
azane;1,4-dichlorobenzene
CID 69330361
(3R,4S)-4-(4-chlorophenyl)pyrrolidin-3-ol
CID 125117368

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(4-chlorophenyl)-1,4-dithiane?
The IUPAC name of 2,6-bis(4-chlorophenyl)-1,4-dithiane (CID 11210011) is 2,6-bis(4-chlorophenyl)-1,4-dithiane.
What is the SMILES notation for 2,6-bis(4-chlorophenyl)-1,4-dithiane?
The canonical SMILES for 2,6-bis(4-chlorophenyl)-1,4-dithiane is Clc1ccc(C2CSCC(c3ccc(Cl)cc3)S2)cc1.
What is the InChIKey of 2,6-bis(4-chlorophenyl)-1,4-dithiane?
The InChIKey is YHZQZFBHOWYUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2S2/c17-13-5-1-11(2-6-13)15-9-19-10-16(20-15)12-3-7-14(18)8-4-12/h1-8,15-16H,9-10H2.
What are the key properties of 2,6-bis(4-chlorophenyl)-1,4-dithiane?
2,6-bis(4-chlorophenyl)-1,4-dithiane has a molecular weight of 341.33 g/mol, XLogP of 6.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(4-chlorophenyl)-1,4-dithiane is sourced from PubChem (CID 11210011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).