1-benzylsulfanyl-3,5-dichlorobenzene

C13H10Cl2S — CID 22970309

IUPAC1-benzylsulfanyl-3,5-dichlorobenzene
SMILESClc1cc(Cl)cc(SCc2ccccc2)c1
InChIInChI=1S/C13H10Cl2S/c14-11-6-12(15)8-13(7-11)16-9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyIKFFKKBPKQQVBZ-UHFFFAOYSA-N
MW269.20 g/mol
LogP5.29
Rot. Bonds3

About 1-benzylsulfanyl-3,5-dichlorobenzene

1-benzylsulfanyl-3,5-dichlorobenzene (PubChem CID 22970309) has the molecular formula C13H10Cl2S and a molecular weight of 269.20 g/mol. Its IUPAC name is 1-benzylsulfanyl-3,5-dichlorobenzene.

Molecular Properties

Compound Name1-benzylsulfanyl-3,5-dichlorobenzene
PubChem CID22970309
Molecular FormulaC13H10Cl2S
Molecular Weight269.20 g/mol
Exact Mass267.99
IUPAC Name1-benzylsulfanyl-3,5-dichlorobenzene
SMILESClc1cc(Cl)cc(SCc2ccccc2)c1
InChIInChI=1S/C13H10Cl2S/c14-11-6-12(15)8-13(7-11)16-9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyIKFFKKBPKQQVBZ-UHFFFAOYSA-N
XLogP5.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.20
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 7639
Fluorbenside
CID 9836
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2,4-Dichloro-1-(((2,4-dichlorobenzyl)thio)methyl)benzene
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1-(Benzenesulfinylmethyl)-4-chlorobenzene
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4-Chlorobenzyl phenyl sulfide
CID 817805
1-Chloro-2-methyl-3-(methylthio)benzene
CID 14801176
1-chloro-2-[(E)-2-(4-methylsulfanylphenyl)ethenyl]benzene
CID 66553587
Benzyl 4-chlorophenyl sulfide
CID 4589377
Cinnamyl(4-chlorophenyl) sulfide
CID 5829438
p-Chlorobenzyl-p-chlorophenyl sulfoxide
CID 312171
Benzene, 1-chloro-4-[(4-methylphenyl)thio]-
CID 821952

Frequently Asked Questions

What is the IUPAC name of 1-benzylsulfanyl-3,5-dichlorobenzene?
The IUPAC name of 1-benzylsulfanyl-3,5-dichlorobenzene (CID 22970309) is 1-benzylsulfanyl-3,5-dichlorobenzene.
What is the SMILES notation for 1-benzylsulfanyl-3,5-dichlorobenzene?
The canonical SMILES for 1-benzylsulfanyl-3,5-dichlorobenzene is Clc1cc(Cl)cc(SCc2ccccc2)c1.
What is the InChIKey of 1-benzylsulfanyl-3,5-dichlorobenzene?
The InChIKey is IKFFKKBPKQQVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2S/c14-11-6-12(15)8-13(7-11)16-9-10-4-2-1-3-5-10/h1-8H,9H2.
What are the key properties of 1-benzylsulfanyl-3,5-dichlorobenzene?
1-benzylsulfanyl-3,5-dichlorobenzene has a molecular weight of 269.20 g/mol, XLogP of 5.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylsulfanyl-3,5-dichlorobenzene is sourced from PubChem (CID 22970309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).