1-chloro-4-[1-(4-chlorophenyl)sulfanyl-2-phenylethyl]sulfanylbenzene

C20H16Cl2S2 — CID 135063510

IUPAC1-chloro-4-[1-(4-chlorophenyl)sulfanyl-2-phenylethyl]sulfanylbenzene
SMILESClc1ccc(SC(Cc2ccccc2)Sc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H16Cl2S2/c21-16-6-10-18(11-7-16)23-20(14-15-4-2-1-3-5-15)24-19-12-8-17(22)9-13-19/h1-13,20H,14H2
InChIKeyVBHHFOBMWJGMRY-UHFFFAOYSA-N
MW391.39 g/mol
LogP7.45
Rot. Bonds6

About 1-chloro-4-[1-(4-chlorophenyl)sulfanyl-2-phenylethyl]sulfanylbenzene

1-chloro-4-[1-(4-chlorophenyl)sulfanyl-2-phenylethyl]sulfanylbenzene (PubChem CID 135063510) has the molecular formula C20H16Cl2S2 and a molecular weight of 391.39 g/mol. Its IUPAC name is 1-chloro-4-[1-(4-chlorophenyl)sulfanyl-2-phenylethyl]sulfanylbenzene.

Molecular Properties

Compound Name1-chloro-4-[1-(4-chlorophenyl)sulfanyl-2-phenylethyl]sulfanylbenzene
PubChem CID135063510
Molecular FormulaC20H16Cl2S2
Molecular Weight391.39 g/mol
Exact Mass390.01
IUPAC Name1-chloro-4-[1-(4-chlorophenyl)sulfanyl-2-phenylethyl]sulfanylbenzene
SMILESClc1ccc(SC(Cc2ccccc2)Sc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H16Cl2S2/c21-16-6-10-18(11-7-16)23-20(14-15-4-2-1-3-5-15)24-19-12-8-17(22)9-13-19/h1-13,20H,14H2
InChIKeyVBHHFOBMWJGMRY-UHFFFAOYSA-N
XLogP7.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.39
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[1-(4-chlorophenyl)sulfanyl-2-phenylethyl]imidazole
CID 71324262
3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfanylpropanoic acid
CID 133245393
1-(4-chlorophenyl)-2-phenylethanol
CID 10966396
2-(4-chlorophenyl)sulfanyl-3-(4-phenoxyphenyl)propanoic acid
CID 133241111
2-(4-chlorophenyl)sulfanyl-2-phenylethanol
CID 16735964
4-chloro-N-(1,3-diphenylpropan-2-yl)aniline
CID 175391437
1-chloro-4-(2-isocyano-3-phenylpropyl)benzene
CID 22215070
(3S,6R)-1-(4-chlorophenyl)-2,3,6,7-tetrahydroxy-8-phenyloctane-4,5-dione
CID 90985190
1-chloro-4-(dichloromethylsulfanyl)benzene
CID 15869632
1-chloro-4-(1-fluoro-2-phenoxyethyl)sulfanylbenzene
CID 139914136
1-(1-bromo-3-phenylpropan-2-yl)-4-chlorobenzene
CID 79434100
3-phenyl-2-phenylsulfanylpropan-1-ol
CID 14744646

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[1-(4-chlorophenyl)sulfanyl-2-phenylethyl]sulfanylbenzene?
The IUPAC name of 1-chloro-4-[1-(4-chlorophenyl)sulfanyl-2-phenylethyl]sulfanylbenzene (CID 135063510) is 1-chloro-4-[1-(4-chlorophenyl)sulfanyl-2-phenylethyl]sulfanylbenzene.
What is the SMILES notation for 1-chloro-4-[1-(4-chlorophenyl)sulfanyl-2-phenylethyl]sulfanylbenzene?
The canonical SMILES for 1-chloro-4-[1-(4-chlorophenyl)sulfanyl-2-phenylethyl]sulfanylbenzene is Clc1ccc(SC(Cc2ccccc2)Sc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-chloro-4-[1-(4-chlorophenyl)sulfanyl-2-phenylethyl]sulfanylbenzene?
The InChIKey is VBHHFOBMWJGMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2S2/c21-16-6-10-18(11-7-16)23-20(14-15-4-2-1-3-5-15)24-19-12-8-17(22)9-13-19/h1-13,20H,14H2.
What are the key properties of 1-chloro-4-[1-(4-chlorophenyl)sulfanyl-2-phenylethyl]sulfanylbenzene?
1-chloro-4-[1-(4-chlorophenyl)sulfanyl-2-phenylethyl]sulfanylbenzene has a molecular weight of 391.39 g/mol, XLogP of 7.45, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[1-(4-chlorophenyl)sulfanyl-2-phenylethyl]sulfanylbenzene is sourced from PubChem (CID 135063510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).