1-chloro-4-[chloro-[chloro-bis(4-chlorophenyl)methyl]sulfanyl-(4-chlorophenyl)methyl]benzene

C26H16Cl6S — CID 88768723

IUPAC1-chloro-4-[chloro-[chloro-bis(4-chlorophenyl)methyl]sulfanyl-(4-chlorophenyl)methyl]benzene
SMILESClc1ccc(C(Cl)(SC(Cl)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C26H16Cl6S/c27-21-9-1-17(2-10-21)25(31,18-3-11-22(28)12-4-18)33-26(32,19-5-13-23(29)14-6-19)20-7-15-24(30)16-8-20/h1-16H
InChIKeyRIDGNOBFRJMCNQ-UHFFFAOYSA-N
MW573.20 g/mol
LogP10.61
Rot. Bonds6

About 1-chloro-4-[chloro-[chloro-bis(4-chlorophenyl)methyl]sulfanyl-(4-chlorophenyl)methyl]benzene

1-chloro-4-[chloro-[chloro-bis(4-chlorophenyl)methyl]sulfanyl-(4-chlorophenyl)methyl]benzene (PubChem CID 88768723) has the molecular formula C26H16Cl6S and a molecular weight of 573.20 g/mol. Its IUPAC name is 1-chloro-4-[chloro-[chloro-bis(4-chlorophenyl)methyl]sulfanyl-(4-chlorophenyl)methyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[chloro-[chloro-bis(4-chlorophenyl)methyl]sulfanyl-(4-chlorophenyl)methyl]benzene
PubChem CID88768723
Molecular FormulaC26H16Cl6S
Molecular Weight573.20 g/mol
Exact Mass569.91
IUPAC Name1-chloro-4-[chloro-[chloro-bis(4-chlorophenyl)methyl]sulfanyl-(4-chlorophenyl)methyl]benzene
SMILESClc1ccc(C(Cl)(SC(Cl)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C26H16Cl6S/c27-21-9-1-17(2-10-21)25(31,18-3-11-22(28)12-4-18)33-26(32,19-5-13-23(29)14-6-19)20-7-15-24(30)16-8-20/h1-16H
InChIKeyRIDGNOBFRJMCNQ-UHFFFAOYSA-N
XLogP10.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.20
LogP ≤ 510.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-chloro-4-(1,1-dichloroethyl)benzene
CID 12861387
1-chloro-4-[dichloro(phenyl)methyl]benzene
CID 11000180
bis(1-tert-butyl-4-chlorobenzene);hydrate
CID 91871679
CID 57186179
CID 57186179
chloromethane;1-chloro-4-(trifluoromethyl)benzene
CID 162019017
azane;1,4-dichlorobenzene
CID 69330361
(4-bromophenyl)-bis(4-chlorophenyl)methanol
CID 2756914
1-chloro-4-(2-chlorobutan-2-yl)benzene
CID 71318161
1-chloro-4-tritylbenzene
CID 14737307
1-chloro-4-(2-iodopropan-2-yl)benzene
CID 135213341
1-chloro-4-(2,2,3,4,4-pentamethylpentan-3-yl)benzene
CID 126544009
1,1-dichloro-N-[dichloro-(4-chlorophenyl)methyl]methanimine
CID 154109292

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[chloro-[chloro-bis(4-chlorophenyl)methyl]sulfanyl-(4-chlorophenyl)methyl]benzene?
The IUPAC name of 1-chloro-4-[chloro-[chloro-bis(4-chlorophenyl)methyl]sulfanyl-(4-chlorophenyl)methyl]benzene (CID 88768723) is 1-chloro-4-[chloro-[chloro-bis(4-chlorophenyl)methyl]sulfanyl-(4-chlorophenyl)methyl]benzene.
What is the SMILES notation for 1-chloro-4-[chloro-[chloro-bis(4-chlorophenyl)methyl]sulfanyl-(4-chlorophenyl)methyl]benzene?
The canonical SMILES for 1-chloro-4-[chloro-[chloro-bis(4-chlorophenyl)methyl]sulfanyl-(4-chlorophenyl)methyl]benzene is Clc1ccc(C(Cl)(SC(Cl)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-chloro-4-[chloro-[chloro-bis(4-chlorophenyl)methyl]sulfanyl-(4-chlorophenyl)methyl]benzene?
The InChIKey is RIDGNOBFRJMCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16Cl6S/c27-21-9-1-17(2-10-21)25(31,18-3-11-22(28)12-4-18)33-26(32,19-5-13-23(29)14-6-19)20-7-15-24(30)16-8-20/h1-16H.
What are the key properties of 1-chloro-4-[chloro-[chloro-bis(4-chlorophenyl)methyl]sulfanyl-(4-chlorophenyl)methyl]benzene?
1-chloro-4-[chloro-[chloro-bis(4-chlorophenyl)methyl]sulfanyl-(4-chlorophenyl)methyl]benzene has a molecular weight of 573.20 g/mol, XLogP of 10.61, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[chloro-[chloro-bis(4-chlorophenyl)methyl]sulfanyl-(4-chlorophenyl)methyl]benzene is sourced from PubChem (CID 88768723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).