1-(4-chlorophenyl)sulfanyl-2,4,5-trimethylbenzene

C15H15ClS — CID 22947184

IUPAC1-(4-chlorophenyl)sulfanyl-2,4,5-trimethylbenzene
SMILESCc1cc(C)c(Sc2ccc(Cl)cc2)cc1C
InChIInChI=1S/C15H15ClS/c1-10-8-12(3)15(9-11(10)2)17-14-6-4-13(16)5-7-14/h4-9H,1-3H3
InChIKeyORBWLLNSULZLJP-UHFFFAOYSA-N
MW262.81 g/mol
LogP5.42
Rot. Bonds2

About 1-(4-chlorophenyl)sulfanyl-2,4,5-trimethylbenzene

1-(4-chlorophenyl)sulfanyl-2,4,5-trimethylbenzene (PubChem CID 22947184) has the molecular formula C15H15ClS and a molecular weight of 262.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfanyl-2,4,5-trimethylbenzene.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfanyl-2,4,5-trimethylbenzene
PubChem CID22947184
Molecular FormulaC15H15ClS
Molecular Weight262.81 g/mol
Exact Mass262.06
IUPAC Name1-(4-chlorophenyl)sulfanyl-2,4,5-trimethylbenzene
SMILESCc1cc(C)c(Sc2ccc(Cl)cc2)cc1C
InChIInChI=1S/C15H15ClS/c1-10-8-12(3)15(9-11(10)2)17-14-6-4-13(16)5-7-14/h4-9H,1-3H3
InChIKeyORBWLLNSULZLJP-UHFFFAOYSA-N
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.81
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-1-(4-chlorophenyl)sulfanyl-2-methylbenzene
CID 14223180
1,2-bis[(4-bromophenyl)sulfanyl]-4,5-dimethylbenzene
CID 58715679
2-(4-chlorophenyl)sulfanyl-4-methylphenol
CID 21411344
2-[4-(4-chlorophenyl)sulfanyl-3-methylphenyl]acetic acid
CID 91876934
5-chloro-2-(4-chlorophenyl)sulfanylphenol
CID 21430256
1,3-dichloro-2-(4-chlorophenyl)sulfanyl-5-methylbenzene
CID 20641469
2,4-dimethyl-1-(4-methylphenyl)sulfanylbenzene
CID 15456660
N-[2-(4-chlorophenyl)sulfanylphenyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 22202209
2-chloro-5-methyl-4-(4-methylphenyl)sulfanylpyridine
CID 83267819
4-bromo-2-chloro-1-(4-chlorophenyl)sulfanylbenzene
CID 91876660
5-chloro-2-(3,4-dimethylphenyl)sulfanylbenzonitrile
CID 55223970
1-(4-chlorophenyl)sulfanyl-4-methyl-2-nitrobenzene
CID 91875621

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfanyl-2,4,5-trimethylbenzene?
The IUPAC name of 1-(4-chlorophenyl)sulfanyl-2,4,5-trimethylbenzene (CID 22947184) is 1-(4-chlorophenyl)sulfanyl-2,4,5-trimethylbenzene.
What is the SMILES notation for 1-(4-chlorophenyl)sulfanyl-2,4,5-trimethylbenzene?
The canonical SMILES for 1-(4-chlorophenyl)sulfanyl-2,4,5-trimethylbenzene is Cc1cc(C)c(Sc2ccc(Cl)cc2)cc1C.
What is the InChIKey of 1-(4-chlorophenyl)sulfanyl-2,4,5-trimethylbenzene?
The InChIKey is ORBWLLNSULZLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClS/c1-10-8-12(3)15(9-11(10)2)17-14-6-4-13(16)5-7-14/h4-9H,1-3H3.
What are the key properties of 1-(4-chlorophenyl)sulfanyl-2,4,5-trimethylbenzene?
1-(4-chlorophenyl)sulfanyl-2,4,5-trimethylbenzene has a molecular weight of 262.81 g/mol, XLogP of 5.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfanyl-2,4,5-trimethylbenzene is sourced from PubChem (CID 22947184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).