(2,4-dichlorophenyl)-(3-methylsulfanylphenyl)methanone

C14H10Cl2OS — CID 146007568

IUPAC(2,4-dichlorophenyl)-(3-methylsulfanylphenyl)methanone
SMILESCSc1cccc(C(=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C14H10Cl2OS/c1-18-11-4-2-3-9(7-11)14(17)12-6-5-10(15)8-13(12)16/h2-8H,1H3
InChIKeyXACYHDGYMKLJTN-UHFFFAOYSA-N
MW297.21 g/mol
LogP4.95
Rot. Bonds3

About (2,4-dichlorophenyl)-(3-methylsulfanylphenyl)methanone

(2,4-dichlorophenyl)-(3-methylsulfanylphenyl)methanone (PubChem CID 146007568) has the molecular formula C14H10Cl2OS and a molecular weight of 297.21 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-(3-methylsulfanylphenyl)methanone.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-(3-methylsulfanylphenyl)methanone
PubChem CID146007568
Molecular FormulaC14H10Cl2OS
Molecular Weight297.21 g/mol
Exact Mass295.98
IUPAC Name(2,4-dichlorophenyl)-(3-methylsulfanylphenyl)methanone
SMILESCSc1cccc(C(=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C14H10Cl2OS/c1-18-11-4-2-3-9(7-11)14(17)12-6-5-10(15)8-13(12)16/h2-8H,1H3
InChIKeyXACYHDGYMKLJTN-UHFFFAOYSA-N
XLogP4.95
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.21
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-dichlorophenyl)-(3-fluorophenyl)methanone
CID 61271846
(2,4-dichlorophenyl)-(3,4-difluorophenyl)methanone
CID 43338229
(2,4-dichlorophenyl)-(3-propylphenyl)methanone
CID 115812034
2-(3-methylsulfanylbenzoyl)benzoic acid
CID 91655850
(2,4-dichlorophenyl)-[3-(2-methylpropyl)phenyl]methanone
CID 115812297
(2,4-dichlorophenyl)-(2-methylsulfanylphenyl)methanone
CID 79214960
(2,4-dichlorophenyl)-(3,4,5-trifluorophenyl)methanone
CID 63187591
(3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methanone
CID 63492857
(2,4-dichlorophenyl)-(3-propoxyphenyl)methanone
CID 63492692
(2,4-dichlorophenyl)-(4-fluoro-3,5-dimethylphenyl)methanone
CID 65299220
(5-chloro-2-fluorophenyl)-(3-chlorophenyl)methanone
CID 112694065
(2,4-dichlorophenyl)-(4-hydroxyphenyl)methanone
CID 13453357

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-(3-methylsulfanylphenyl)methanone?
The IUPAC name of (2,4-dichlorophenyl)-(3-methylsulfanylphenyl)methanone (CID 146007568) is (2,4-dichlorophenyl)-(3-methylsulfanylphenyl)methanone.
What is the SMILES notation for (2,4-dichlorophenyl)-(3-methylsulfanylphenyl)methanone?
The canonical SMILES for (2,4-dichlorophenyl)-(3-methylsulfanylphenyl)methanone is CSc1cccc(C(=O)c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of (2,4-dichlorophenyl)-(3-methylsulfanylphenyl)methanone?
The InChIKey is XACYHDGYMKLJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2OS/c1-18-11-4-2-3-9(7-11)14(17)12-6-5-10(15)8-13(12)16/h2-8H,1H3.
What are the key properties of (2,4-dichlorophenyl)-(3-methylsulfanylphenyl)methanone?
(2,4-dichlorophenyl)-(3-methylsulfanylphenyl)methanone has a molecular weight of 297.21 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-(3-methylsulfanylphenyl)methanone is sourced from PubChem (CID 146007568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).