1-chloro-2-(4-methylsulfanylphenyl)benzene

C13H11ClS — CID 123340563

IUPAC1-chloro-2-(4-methylsulfanylphenyl)benzene
SMILESCSc1ccc(-c2ccccc2Cl)cc1
InChIInChI=1S/C13H11ClS/c1-15-11-8-6-10(7-9-11)12-4-2-3-5-13(12)14/h2-9H,1H3
InChIKeyDHQBTGQKWGLBMN-UHFFFAOYSA-N
MW234.75 g/mol
LogP4.73
Rot. Bonds2

About 1-chloro-2-(4-methylsulfanylphenyl)benzene

1-chloro-2-(4-methylsulfanylphenyl)benzene (PubChem CID 123340563) has the molecular formula C13H11ClS and a molecular weight of 234.75 g/mol. Its IUPAC name is 1-chloro-2-(4-methylsulfanylphenyl)benzene.

Molecular Properties

Compound Name1-chloro-2-(4-methylsulfanylphenyl)benzene
PubChem CID123340563
Molecular FormulaC13H11ClS
Molecular Weight234.75 g/mol
Exact Mass234.03
IUPAC Name1-chloro-2-(4-methylsulfanylphenyl)benzene
SMILESCSc1ccc(-c2ccccc2Cl)cc1
InChIInChI=1S/C13H11ClS/c1-15-11-8-6-10(7-9-11)12-4-2-3-5-13(12)14/h2-9H,1H3
InChIKeyDHQBTGQKWGLBMN-UHFFFAOYSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.75
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-1,4-bis(4-methylsulfanylphenyl)benzene;ethane
CID 145412484
1-bromo-4-(2-chlorophenyl)benzene
CID 12939408
[4-[2-[3,5-bis[2-(4-methylsulfanylphenyl)phenyl]phenyl]phenyl]phenyl]methanethiol
CID 89041425
1-[2-(4-methylsulfanylphenyl)phenyl]-N-[2-[[2-(4-methylsulfanylphenyl)phenyl]methylideneamino]ethyl]methanimine
CID 59301881
1-chloro-2-(4-chlorophenyl)benzene;dichloromethane
CID 175257983
ethane;1-methylsulfanyl-4-(4-methylsulfanylphenyl)benzene
CID 143577780
1-chloro-2-[2-[2-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 171525544
1-chloro-2-phenylbenzene;phosphorous acid
CID 174579348
1-chloro-4-methylsulfanylbenzene;methane;methylsulfanylbenzene
CID 160826513
1-chloro-2-(4-methylsulfanylphenoxy)benzene
CID 141024023
2-(2-chlorophenyl)-4-(4-methylsulfanylphenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazole
CID 54183581
N'-methyl-2-(4-methylsulfanylphenyl)benzenecarboximidamide
CID 18771509

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(4-methylsulfanylphenyl)benzene?
The IUPAC name of 1-chloro-2-(4-methylsulfanylphenyl)benzene (CID 123340563) is 1-chloro-2-(4-methylsulfanylphenyl)benzene.
What is the SMILES notation for 1-chloro-2-(4-methylsulfanylphenyl)benzene?
The canonical SMILES for 1-chloro-2-(4-methylsulfanylphenyl)benzene is CSc1ccc(-c2ccccc2Cl)cc1.
What is the InChIKey of 1-chloro-2-(4-methylsulfanylphenyl)benzene?
The InChIKey is DHQBTGQKWGLBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClS/c1-15-11-8-6-10(7-9-11)12-4-2-3-5-13(12)14/h2-9H,1H3.
What are the key properties of 1-chloro-2-(4-methylsulfanylphenyl)benzene?
1-chloro-2-(4-methylsulfanylphenyl)benzene has a molecular weight of 234.75 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(4-methylsulfanylphenyl)benzene is sourced from PubChem (CID 123340563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).