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

C14H10Cl2OS — CID 79214960

IUPAC(2,4-dichlorophenyl)-(2-methylsulfanylphenyl)methanone
SMILESCSc1ccccc1C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H10Cl2OS/c1-18-13-5-3-2-4-11(13)14(17)10-7-6-9(15)8-12(10)16/h2-8H,1H3
InChIKeyNYZSRKCMPLABKW-UHFFFAOYSA-N
MW297.21 g/mol
LogP4.95
Rot. Bonds3

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

(2,4-dichlorophenyl)-(2-methylsulfanylphenyl)methanone (PubChem CID 79214960) has the molecular formula C14H10Cl2OS and a molecular weight of 297.21 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-(2-methylsulfanylphenyl)methanone.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-(2-methylsulfanylphenyl)methanone
PubChem CID79214960
Molecular FormulaC14H10Cl2OS
Molecular Weight297.21 g/mol
Exact Mass295.98
IUPAC Name(2,4-dichlorophenyl)-(2-methylsulfanylphenyl)methanone
SMILESCSc1ccccc1C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H10Cl2OS/c1-18-13-5-3-2-4-11(13)14(17)10-7-6-9(15)8-12(10)16/h2-8H,1H3
InChIKeyNYZSRKCMPLABKW-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

(5-chloro-1H-indol-3-yl)-(2-methylsulfanylphenyl)methanone
CID 79215184
(2,4-dichlorophenyl)-(2-ethylphenyl)methanone
CID 79020257
2,5-bis(2-methylsulfanylbenzoyl)terephthalic acid
CID 23586491
(3-chloro-2-fluorophenyl)-(2,4-dichlorophenyl)methanone
CID 81265376
(2,4-dichlorophenyl)-(2,5-dichlorophenyl)methanone
CID 43344575
N-(2,5-dichlorophenyl)-2-methylsulfanylbenzamide
CID 848431
(2,4-dichlorophenyl)-(3-methylsulfanylphenyl)methanone
CID 146007568
(2,4-dichlorophenyl)-[2-(difluoromethoxy)phenyl]methanone
CID 63492359
(2-chloro-4-fluorophenyl)-(4-methyl-2-methylsulfanylphenyl)methanone
CID 142346682
(2-methylsulfanylphenyl)-phenylmethanone
CID 14145188
2-(5-chloro-2-methylsulfanylphenyl)-2-oxoacetic acid
CID 117333337
(2,4-dichlorophenyl)-(2,4-difluorophenyl)methanone
CID 43159987

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-(2-methylsulfanylphenyl)methanone?
The IUPAC name of (2,4-dichlorophenyl)-(2-methylsulfanylphenyl)methanone (CID 79214960) is (2,4-dichlorophenyl)-(2-methylsulfanylphenyl)methanone.
What is the SMILES notation for (2,4-dichlorophenyl)-(2-methylsulfanylphenyl)methanone?
The canonical SMILES for (2,4-dichlorophenyl)-(2-methylsulfanylphenyl)methanone is CSc1ccccc1C(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of (2,4-dichlorophenyl)-(2-methylsulfanylphenyl)methanone?
The InChIKey is NYZSRKCMPLABKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2OS/c1-18-13-5-3-2-4-11(13)14(17)10-7-6-9(15)8-12(10)16/h2-8H,1H3.
What are the key properties of (2,4-dichlorophenyl)-(2-methylsulfanylphenyl)methanone?
(2,4-dichlorophenyl)-(2-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)-(2-methylsulfanylphenyl)methanone is sourced from PubChem (CID 79214960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).