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

C15H15ClS — CID 143541778

IUPAC2-chloro-1-ethyl-4-(4-methylsulfanylphenyl)benzene
SMILESCCc1ccc(-c2ccc(SC)cc2)cc1Cl
InChIInChI=1S/C15H15ClS/c1-3-11-4-5-13(10-15(11)16)12-6-8-14(17-2)9-7-12/h4-10H,3H2,1-2H3
InChIKeyWHUFKSHPQXQUFD-UHFFFAOYSA-N
MW262.81 g/mol
LogP5.29
Rot. Bonds3

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

2-chloro-1-ethyl-4-(4-methylsulfanylphenyl)benzene (PubChem CID 143541778) has the molecular formula C15H15ClS and a molecular weight of 262.81 g/mol. Its IUPAC name is 2-chloro-1-ethyl-4-(4-methylsulfanylphenyl)benzene.

Molecular Properties

Compound Name2-chloro-1-ethyl-4-(4-methylsulfanylphenyl)benzene
PubChem CID143541778
Molecular FormulaC15H15ClS
Molecular Weight262.81 g/mol
Exact Mass262.06
IUPAC Name2-chloro-1-ethyl-4-(4-methylsulfanylphenyl)benzene
SMILESCCc1ccc(-c2ccc(SC)cc2)cc1Cl
InChIInChI=1S/C15H15ClS/c1-3-11-4-5-13(10-15(11)16)12-6-8-14(17-2)9-7-12/h4-10H,3H2,1-2H3
InChIKeyWHUFKSHPQXQUFD-UHFFFAOYSA-N
XLogP5.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.81
LogP ≤ 55.29
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
2-chloro-4-(4-methylsulfanylphenyl)benzonitrile
CID 70699707
3-(4-methylsulfanylphenyl)bicyclo[3.1.0]hexa-1(6),2,4-triene
CID 57273599
ethane;1-methylsulfanyl-4-(4-methylsulfanylphenyl)benzene
CID 143577780
1-(2-chloro-4-methylsulfanylphenyl)propan-2-one
CID 130894787
1-(3,4-diethylphenyl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine
CID 115482274
2-bromo-1-ethyl-4-methylsulfanylbenzene
CID 91880744
1-(3-chloro-4-ethylphenyl)-2,4-dimethylbenzene
CID 129016588
2-chloro-1-ethyl-4-methylbenzene;ethane
CID 143541856
2-chloro-1-ethyl-4-iodobenzene
CID 71044998
1-methyl-4-[4-(4-methylsulfanylphenyl)phenyl]benzene
CID 130214671
methyl 3-(3-chloro-4-ethylphenyl)benzoate
CID 71020930

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-ethyl-4-(4-methylsulfanylphenyl)benzene?
The IUPAC name of 2-chloro-1-ethyl-4-(4-methylsulfanylphenyl)benzene (CID 143541778) is 2-chloro-1-ethyl-4-(4-methylsulfanylphenyl)benzene.
What is the SMILES notation for 2-chloro-1-ethyl-4-(4-methylsulfanylphenyl)benzene?
The canonical SMILES for 2-chloro-1-ethyl-4-(4-methylsulfanylphenyl)benzene is CCc1ccc(-c2ccc(SC)cc2)cc1Cl.
What is the InChIKey of 2-chloro-1-ethyl-4-(4-methylsulfanylphenyl)benzene?
The InChIKey is WHUFKSHPQXQUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClS/c1-3-11-4-5-13(10-15(11)16)12-6-8-14(17-2)9-7-12/h4-10H,3H2,1-2H3.
What are the key properties of 2-chloro-1-ethyl-4-(4-methylsulfanylphenyl)benzene?
2-chloro-1-ethyl-4-(4-methylsulfanylphenyl)benzene has a molecular weight of 262.81 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 2-chloro-1-ethyl-4-(4-methylsulfanylphenyl)benzene is sourced from PubChem (CID 143541778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).