2,4-dichloro-1-(2-methylsulfanylphenyl)benzene

C13H10Cl2S — CID 118990225

IUPAC2,4-dichloro-1-(2-methylsulfanylphenyl)benzene
SMILESCSc1ccccc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H10Cl2S/c1-16-13-5-3-2-4-11(13)10-7-6-9(14)8-12(10)15/h2-8H,1H3
InChIKeyDWXXWMIKODCAIL-UHFFFAOYSA-N
MW269.20 g/mol
LogP5.38
Rot. Bonds2

About 2,4-dichloro-1-(2-methylsulfanylphenyl)benzene

2,4-dichloro-1-(2-methylsulfanylphenyl)benzene (PubChem CID 118990225) has the molecular formula C13H10Cl2S and a molecular weight of 269.20 g/mol. Its IUPAC name is 2,4-dichloro-1-(2-methylsulfanylphenyl)benzene.

Molecular Properties

Compound Name2,4-dichloro-1-(2-methylsulfanylphenyl)benzene
PubChem CID118990225
Molecular FormulaC13H10Cl2S
Molecular Weight269.20 g/mol
Exact Mass267.99
IUPAC Name2,4-dichloro-1-(2-methylsulfanylphenyl)benzene
SMILESCSc1ccccc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H10Cl2S/c1-16-13-5-3-2-4-11(13)10-7-6-9(14)8-12(10)15/h2-8H,1H3
InChIKeyDWXXWMIKODCAIL-UHFFFAOYSA-N
XLogP5.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.20
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-dichloro-1-(2-propan-2-ylphenyl)benzene
CID 54387029
3-(4-chloro-2-methylsulfanylphenyl)fluoranthene
CID 166846666
N-[(2,4-dichlorophenyl)methyl]-2-methylsulfanylaniline
CID 43229972
(2,4-dichlorophenyl)-(2-methylsulfanylphenyl)methanone
CID 79214960
4-bromo-2-(2-chlorophenyl)-1-methylsulfanylbenzene
CID 147030945
CID 160556343
CID 160556343
1-(2,4-dichlorophenyl)-3-[3-(2,4-dichlorophenyl)-2-fluorophenyl]sulfonyl-2-fluorobenzene
CID 87132291
2,4-dichloro-1-[3-chloro-2-(difluoromethyl)phenyl]benzene
CID 134625949
2-fluoro-5-(2-methylsulfanylphenyl)aniline
CID 171456179
2-(2,4-dichlorophenyl)benzoyl chloride
CID 171785287
5-chloro-2-(2,4-dichlorophenyl)phenol
CID 174783468
2,4-dichloro-1-[3-fluoro-2-(trifluoromethyl)phenyl]benzene
CID 119002759

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1-(2-methylsulfanylphenyl)benzene?
The IUPAC name of 2,4-dichloro-1-(2-methylsulfanylphenyl)benzene (CID 118990225) is 2,4-dichloro-1-(2-methylsulfanylphenyl)benzene.
What is the SMILES notation for 2,4-dichloro-1-(2-methylsulfanylphenyl)benzene?
The canonical SMILES for 2,4-dichloro-1-(2-methylsulfanylphenyl)benzene is CSc1ccccc1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-1-(2-methylsulfanylphenyl)benzene?
The InChIKey is DWXXWMIKODCAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2S/c1-16-13-5-3-2-4-11(13)10-7-6-9(14)8-12(10)15/h2-8H,1H3.
What are the key properties of 2,4-dichloro-1-(2-methylsulfanylphenyl)benzene?
2,4-dichloro-1-(2-methylsulfanylphenyl)benzene has a molecular weight of 269.20 g/mol, XLogP of 5.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1-(2-methylsulfanylphenyl)benzene is sourced from PubChem (CID 118990225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).