1-chloro-2-ethylsulfanyl-4-methylbenzene

C9H11ClS — CID 91876402

IUPAC1-chloro-2-ethylsulfanyl-4-methylbenzene
SMILESCCSc1cc(C)ccc1Cl
InChIInChI=1S/C9H11ClS/c1-3-11-9-6-7(2)4-5-8(9)10/h4-6H,3H2,1-2H3
InChIKeyRBHDJYZUWFCFLT-UHFFFAOYSA-N
MW186.71 g/mol
LogP3.76
Rot. Bonds2

About 1-chloro-2-ethylsulfanyl-4-methylbenzene

1-chloro-2-ethylsulfanyl-4-methylbenzene (PubChem CID 91876402) has the molecular formula C9H11ClS and a molecular weight of 186.71 g/mol. Its IUPAC name is 1-chloro-2-ethylsulfanyl-4-methylbenzene.

Molecular Properties

Compound Name1-chloro-2-ethylsulfanyl-4-methylbenzene
PubChem CID91876402
Molecular FormulaC9H11ClS
Molecular Weight186.71 g/mol
Exact Mass186.03
IUPAC Name1-chloro-2-ethylsulfanyl-4-methylbenzene
SMILESCCSc1cc(C)ccc1Cl
InChIInChI=1S/C9H11ClS/c1-3-11-9-6-7(2)4-5-8(9)10/h4-6H,3H2,1-2H3
InChIKeyRBHDJYZUWFCFLT-UHFFFAOYSA-N
XLogP3.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.71
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethyl 4-chloro-3-ethylsulfanylbenzoate
CID 91876324
1-chloro-2-fluoro-4-methylbenzene;propane
CID 154658085
O-(2-chloro-5-methylphenyl)sulfanylhydroxylamine
CID 143470684
1-chloro-2-heptan-4-yl-4-methylbenzene
CID 134594279
N-[(2-ethylsulfanyl-5-methylphenyl)methyl]ethanamine
CID 82553373
1,2-dichloro-4-methylbenzene;zinc
CID 174694337
1-(2-chloro-5-methylphenyl)propan-1-ol
CID 83988244
2-(2,5-dichlorophenyl)sulfanyl-1-(2,5-dimethylphenyl)-N-methylethanamine
CID 64620650
3-(2-ethylsulfanyl-5-methylphenyl)propan-1-amine
CID 82264952
4-chloro-3-[(4-methylphenyl)methylsulfanyl]aniline
CID 79134358
(2R)-1-(2,5-dichlorophenyl)sulfanylpropan-2-amine
CID 104889169
1-(2,5-dichlorophenyl)sulfanyl-2-methylbutan-2-ol
CID 114496192

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-ethylsulfanyl-4-methylbenzene?
The IUPAC name of 1-chloro-2-ethylsulfanyl-4-methylbenzene (CID 91876402) is 1-chloro-2-ethylsulfanyl-4-methylbenzene.
What is the SMILES notation for 1-chloro-2-ethylsulfanyl-4-methylbenzene?
The canonical SMILES for 1-chloro-2-ethylsulfanyl-4-methylbenzene is CCSc1cc(C)ccc1Cl.
What is the InChIKey of 1-chloro-2-ethylsulfanyl-4-methylbenzene?
The InChIKey is RBHDJYZUWFCFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClS/c1-3-11-9-6-7(2)4-5-8(9)10/h4-6H,3H2,1-2H3.
What are the key properties of 1-chloro-2-ethylsulfanyl-4-methylbenzene?
1-chloro-2-ethylsulfanyl-4-methylbenzene has a molecular weight of 186.71 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-ethylsulfanyl-4-methylbenzene is sourced from PubChem (CID 91876402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).