2-chloro-4-[3-(2-chlorophenyl)sulfanyl-2-methylpropyl]-1-(3-methylbutyl)benzene

C21H26Cl2S — CID 175612577

IUPAC2-chloro-4-[3-(2-chlorophenyl)sulfanyl-2-methylpropyl]-1-(3-methylbutyl)benzene
SMILESCC(C)CCc1ccc(CC(C)CSc2ccccc2Cl)cc1Cl
InChIInChI=1S/C21H26Cl2S/c1-15(2)8-10-18-11-9-17(13-20(18)23)12-16(3)14-24-21-7-5-4-6-19(21)22/h4-7,9,11,13,15-16H,8,10,12,14H2,1-3H3
InChIKeyBXLNUKYNRLHGIC-UHFFFAOYSA-N
MW381.41 g/mol
LogP7.55
Rot. Bonds8

About 2-chloro-4-[3-(2-chlorophenyl)sulfanyl-2-methylpropyl]-1-(3-methylbutyl)benzene

2-chloro-4-[3-(2-chlorophenyl)sulfanyl-2-methylpropyl]-1-(3-methylbutyl)benzene (PubChem CID 175612577) has the molecular formula C21H26Cl2S and a molecular weight of 381.41 g/mol. Its IUPAC name is 2-chloro-4-[3-(2-chlorophenyl)sulfanyl-2-methylpropyl]-1-(3-methylbutyl)benzene.

Molecular Properties

Compound Name2-chloro-4-[3-(2-chlorophenyl)sulfanyl-2-methylpropyl]-1-(3-methylbutyl)benzene
PubChem CID175612577
Molecular FormulaC21H26Cl2S
Molecular Weight381.41 g/mol
Exact Mass380.11
IUPAC Name2-chloro-4-[3-(2-chlorophenyl)sulfanyl-2-methylpropyl]-1-(3-methylbutyl)benzene
SMILESCC(C)CCc1ccc(CC(C)CSc2ccccc2Cl)cc1Cl
InChIInChI=1S/C21H26Cl2S/c1-15(2)8-10-18-11-9-17(13-20(18)23)12-16(3)14-24-21-7-5-4-6-19(21)22/h4-7,9,11,13,15-16H,8,10,12,14H2,1-3H3
InChIKeyBXLNUKYNRLHGIC-UHFFFAOYSA-N
XLogP7.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.41
LogP ≤ 57.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloro-2-[2-[2-chloro-4-(2-methylpropyl)phenyl]ethyl]-3-fluorobenzene
CID 178141373
1-(2-chlorophenyl)sulfanyl-3-(3,4-dimethylphenyl)propan-2-ol
CID 66153728
1-[3-chloro-4-(2-methylpropylsulfanyl)phenyl]propan-2-amine
CID 81160849
[1-(2-chlorophenyl)sulfanyl-6-methylheptan-2-yl]hydrazine
CID 105237772
1-(4-chloro-3-fluorophenyl)-3-(2-chlorophenyl)sulfanylpropan-2-amine
CID 107884862
[1-(2-chlorophenyl)sulfanyl-3-(2,4-dichlorophenyl)propan-2-yl]hydrazine
CID 105237715
1-[2-(bromomethyl)-3-methylbutyl]sulfanyl-2-chlorobenzene
CID 65012063
4-[3-(2-chlorophenyl)sulfanyl-2-hydroxypropyl]phenol
CID 66154688
1-(2-chlorophenyl)sulfanyl-5,5-dimethylhexan-2-ol
CID 114212099
[1-(2-chloro-4-fluorophenyl)-3-(2-chlorophenyl)sulfanylpropan-2-yl]hydrazine
CID 105237547
[1-(4-bromo-2-chlorophenyl)-3-(2-chlorophenyl)sulfanylpropan-2-yl]hydrazine
CID 105237678
1-(2-chlorophenyl)sulfanyl-3-(4-iodophenyl)-N-methylpropan-2-amine
CID 66139977

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[3-(2-chlorophenyl)sulfanyl-2-methylpropyl]-1-(3-methylbutyl)benzene?
The IUPAC name of 2-chloro-4-[3-(2-chlorophenyl)sulfanyl-2-methylpropyl]-1-(3-methylbutyl)benzene (CID 175612577) is 2-chloro-4-[3-(2-chlorophenyl)sulfanyl-2-methylpropyl]-1-(3-methylbutyl)benzene.
What is the SMILES notation for 2-chloro-4-[3-(2-chlorophenyl)sulfanyl-2-methylpropyl]-1-(3-methylbutyl)benzene?
The canonical SMILES for 2-chloro-4-[3-(2-chlorophenyl)sulfanyl-2-methylpropyl]-1-(3-methylbutyl)benzene is CC(C)CCc1ccc(CC(C)CSc2ccccc2Cl)cc1Cl.
What is the InChIKey of 2-chloro-4-[3-(2-chlorophenyl)sulfanyl-2-methylpropyl]-1-(3-methylbutyl)benzene?
The InChIKey is BXLNUKYNRLHGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26Cl2S/c1-15(2)8-10-18-11-9-17(13-20(18)23)12-16(3)14-24-21-7-5-4-6-19(21)22/h4-7,9,11,13,15-16H,8,10,12,14H2,1-3H3.
What are the key properties of 2-chloro-4-[3-(2-chlorophenyl)sulfanyl-2-methylpropyl]-1-(3-methylbutyl)benzene?
2-chloro-4-[3-(2-chlorophenyl)sulfanyl-2-methylpropyl]-1-(3-methylbutyl)benzene has a molecular weight of 381.41 g/mol, XLogP of 7.55, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[3-(2-chlorophenyl)sulfanyl-2-methylpropyl]-1-(3-methylbutyl)benzene is sourced from PubChem (CID 175612577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).