1-chloro-4-[2-[(4-chlorophenyl)sulfanylmethyl]phenyl]sulfanylbenzene

C19H14Cl2S2 — CID 2765524

IUPAC1-chloro-4-[2-[(4-chlorophenyl)sulfanylmethyl]phenyl]sulfanylbenzene
SMILESClc1ccc(SCc2ccccc2Sc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H14Cl2S2/c20-15-5-9-17(10-6-15)22-13-14-3-1-2-4-19(14)23-18-11-7-16(21)8-12-18/h1-12H,13H2
InChIKeyHDMPLCIMAYNDHL-UHFFFAOYSA-N
MW377.36 g/mol
LogP7.44
Rot. Bonds5

About 1-chloro-4-[2-[(4-chlorophenyl)sulfanylmethyl]phenyl]sulfanylbenzene

1-chloro-4-[2-[(4-chlorophenyl)sulfanylmethyl]phenyl]sulfanylbenzene (PubChem CID 2765524) has the molecular formula C19H14Cl2S2 and a molecular weight of 377.36 g/mol. Its IUPAC name is 1-chloro-4-[2-[(4-chlorophenyl)sulfanylmethyl]phenyl]sulfanylbenzene.

Molecular Properties

Compound Name1-chloro-4-[2-[(4-chlorophenyl)sulfanylmethyl]phenyl]sulfanylbenzene
PubChem CID2765524
Molecular FormulaC19H14Cl2S2
Molecular Weight377.36 g/mol
Exact Mass375.99
IUPAC Name1-chloro-4-[2-[(4-chlorophenyl)sulfanylmethyl]phenyl]sulfanylbenzene
SMILESClc1ccc(SCc2ccccc2Sc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H14Cl2S2/c20-15-5-9-17(10-6-15)22-13-14-3-1-2-4-19(14)23-18-11-7-16(21)8-12-18/h1-12H,13H2
InChIKeyHDMPLCIMAYNDHL-UHFFFAOYSA-N
XLogP7.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.36
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[2-[(4-chlorophenyl)sulfanylmethyl]phenyl]sulfanylbenzene?
The IUPAC name of 1-chloro-4-[2-[(4-chlorophenyl)sulfanylmethyl]phenyl]sulfanylbenzene (CID 2765524) is 1-chloro-4-[2-[(4-chlorophenyl)sulfanylmethyl]phenyl]sulfanylbenzene.
What is the SMILES notation for 1-chloro-4-[2-[(4-chlorophenyl)sulfanylmethyl]phenyl]sulfanylbenzene?
The canonical SMILES for 1-chloro-4-[2-[(4-chlorophenyl)sulfanylmethyl]phenyl]sulfanylbenzene is Clc1ccc(SCc2ccccc2Sc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-chloro-4-[2-[(4-chlorophenyl)sulfanylmethyl]phenyl]sulfanylbenzene?
The InChIKey is HDMPLCIMAYNDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2S2/c20-15-5-9-17(10-6-15)22-13-14-3-1-2-4-19(14)23-18-11-7-16(21)8-12-18/h1-12H,13H2.
What are the key properties of 1-chloro-4-[2-[(4-chlorophenyl)sulfanylmethyl]phenyl]sulfanylbenzene?
1-chloro-4-[2-[(4-chlorophenyl)sulfanylmethyl]phenyl]sulfanylbenzene has a molecular weight of 377.36 g/mol, XLogP of 7.44, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[2-[(4-chlorophenyl)sulfanylmethyl]phenyl]sulfanylbenzene is sourced from PubChem (CID 2765524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).