1,3-dichloro-5-[2-[1-(3,5-dichlorophenyl)-2-methylpropan-2-yl]sulfanyl-2-methylpropyl]benzene

C20H22Cl4S — CID 18431890

IUPAC1,3-dichloro-5-[2-[1-(3,5-dichlorophenyl)-2-methylpropan-2-yl]sulfanyl-2-methylpropyl]benzene
SMILESCC(C)(Cc1cc(Cl)cc(Cl)c1)SC(C)(C)Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C20H22Cl4S/c1-19(2,11-13-5-15(21)9-16(22)6-13)25-20(3,4)12-14-7-17(23)10-18(24)8-14/h5-10H,11-12H2,1-4H3
InChIKeyANCHDKQMKHPFAZ-UHFFFAOYSA-N
MW436.28 g/mol
LogP8.38
Rot. Bonds6

About 1,3-dichloro-5-[2-[1-(3,5-dichlorophenyl)-2-methylpropan-2-yl]sulfanyl-2-methylpropyl]benzene

1,3-dichloro-5-[2-[1-(3,5-dichlorophenyl)-2-methylpropan-2-yl]sulfanyl-2-methylpropyl]benzene (PubChem CID 18431890) has the molecular formula C20H22Cl4S and a molecular weight of 436.28 g/mol. Its IUPAC name is 1,3-dichloro-5-[2-[1-(3,5-dichlorophenyl)-2-methylpropan-2-yl]sulfanyl-2-methylpropyl]benzene.

Molecular Properties

Compound Name1,3-dichloro-5-[2-[1-(3,5-dichlorophenyl)-2-methylpropan-2-yl]sulfanyl-2-methylpropyl]benzene
PubChem CID18431890
Molecular FormulaC20H22Cl4S
Molecular Weight436.28 g/mol
Exact Mass434.02
IUPAC Name1,3-dichloro-5-[2-[1-(3,5-dichlorophenyl)-2-methylpropan-2-yl]sulfanyl-2-methylpropyl]benzene
SMILESCC(C)(Cc1cc(Cl)cc(Cl)c1)SC(C)(C)Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C20H22Cl4S/c1-19(2,11-13-5-15(21)9-16(22)6-13)25-20(3,4)12-14-7-17(23)10-18(24)8-14/h5-10H,11-12H2,1-4H3
InChIKeyANCHDKQMKHPFAZ-UHFFFAOYSA-N
XLogP8.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.28
LogP ≤ 58.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[2-methyl-2-(2-methyl-1-phenylpropan-2-yl)sulfanylpropyl]benzene
CID 66796999
N-[(3,5-dichlorophenyl)methyl]-2-methylbut-3-yn-2-amine
CID 63996925
1,3-dichloro-5-[[(3,5-dichlorophenyl)methyldisulfanyl]methyl]benzene
CID 71341722
1-tert-butyl-3,5-dichlorobenzene
CID 23557572
2-(3,5-dichlorophenyl)ethanamine
CID 15670830
N-[2-(3,5-dichlorophenyl)ethyl]-2,2-dimethylpropan-1-amine;hydrochloride
CID 115607511
1-chloro-4-(2-chloro-2-methylpropyl)benzene
CID 82026569
methane;tris(1,3,5-trichlorobenzene)
CID 175444750
sulfane;1,3,5-trichlorobenzene
CID 174951805
bis[5-amino-1-(3,5-dichlorophenyl)-2,2-dimethylhexan-3-yl] oxalate
CID 56984014
1,3-dichloro-5-[1-[2-(3,5-dichlorophenyl)-2-methylpropoxy]-2-methylpropan-2-yl]benzene
CID 57017797
1-chloro-3,5-bis(chloromethyl)benzene
CID 21444183

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-5-[2-[1-(3,5-dichlorophenyl)-2-methylpropan-2-yl]sulfanyl-2-methylpropyl]benzene?
The IUPAC name of 1,3-dichloro-5-[2-[1-(3,5-dichlorophenyl)-2-methylpropan-2-yl]sulfanyl-2-methylpropyl]benzene (CID 18431890) is 1,3-dichloro-5-[2-[1-(3,5-dichlorophenyl)-2-methylpropan-2-yl]sulfanyl-2-methylpropyl]benzene.
What is the SMILES notation for 1,3-dichloro-5-[2-[1-(3,5-dichlorophenyl)-2-methylpropan-2-yl]sulfanyl-2-methylpropyl]benzene?
The canonical SMILES for 1,3-dichloro-5-[2-[1-(3,5-dichlorophenyl)-2-methylpropan-2-yl]sulfanyl-2-methylpropyl]benzene is CC(C)(Cc1cc(Cl)cc(Cl)c1)SC(C)(C)Cc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1,3-dichloro-5-[2-[1-(3,5-dichlorophenyl)-2-methylpropan-2-yl]sulfanyl-2-methylpropyl]benzene?
The InChIKey is ANCHDKQMKHPFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl4S/c1-19(2,11-13-5-15(21)9-16(22)6-13)25-20(3,4)12-14-7-17(23)10-18(24)8-14/h5-10H,11-12H2,1-4H3.
What are the key properties of 1,3-dichloro-5-[2-[1-(3,5-dichlorophenyl)-2-methylpropan-2-yl]sulfanyl-2-methylpropyl]benzene?
1,3-dichloro-5-[2-[1-(3,5-dichlorophenyl)-2-methylpropan-2-yl]sulfanyl-2-methylpropyl]benzene has a molecular weight of 436.28 g/mol, XLogP of 8.38, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-5-[2-[1-(3,5-dichlorophenyl)-2-methylpropan-2-yl]sulfanyl-2-methylpropyl]benzene is sourced from PubChem (CID 18431890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).