1-chloro-4-propylsulfanylbenzene

C9H11ClS — CID 11389837

IUPAC1-chloro-4-propylsulfanylbenzene
SMILESCCCSc1ccc(Cl)cc1
InChIInChI=1S/C9H11ClS/c1-2-7-11-9-5-3-8(10)4-6-9/h3-6H,2,7H2,1H3
InChIKeyUIVFJAFRNBDAEM-UHFFFAOYSA-N
MW186.71 g/mol
LogP3.84
Rot. Bonds3

About 1-chloro-4-propylsulfanylbenzene

1-chloro-4-propylsulfanylbenzene (PubChem CID 11389837) has the molecular formula C9H11ClS and a molecular weight of 186.71 g/mol. Its IUPAC name is 1-chloro-4-propylsulfanylbenzene.

Molecular Properties

Compound Name1-chloro-4-propylsulfanylbenzene
PubChem CID11389837
Molecular FormulaC9H11ClS
Molecular Weight186.71 g/mol
Exact Mass186.03
IUPAC Name1-chloro-4-propylsulfanylbenzene
SMILESCCCSc1ccc(Cl)cc1
InChIInChI=1S/C9H11ClS/c1-2-7-11-9-5-3-8(10)4-6-9/h3-6H,2,7H2,1H3
InChIKeyUIVFJAFRNBDAEM-UHFFFAOYSA-N
XLogP3.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.71
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Methyl trithion
CID 13721
1-Chloro-4-(methylthio)benzene
CID 31243
1-Chloro-4-(methylsulfonyl)benzene
CID 7395
4-Chlorophenyl methyl sulfoxide, (+-)-
CID 13626
Benzene, 1-chloro-3-(phenylthio)-
CID 97584
1,1'-Sulfinylbis(4-chlorobenzene)
CID 18329
Bis(4-chlorophenyl) sulfide
CID 78854
3,4-Dichlorothioanisole
CID 2758227
1-Chloro-4-((2-chloroethyl)sulphonyl)benzene
CID 27745
Thiocyanic acid, 4-chlorophenyl ester
CID 76699
1-Chloro-4-(ethenylsulfonyl)benzene
CID 21703
2-Chlorophenyl methyl sulfide
CID 2737363

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-propylsulfanylbenzene?
The IUPAC name of 1-chloro-4-propylsulfanylbenzene (CID 11389837) is 1-chloro-4-propylsulfanylbenzene.
What is the SMILES notation for 1-chloro-4-propylsulfanylbenzene?
The canonical SMILES for 1-chloro-4-propylsulfanylbenzene is CCCSc1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-propylsulfanylbenzene?
The InChIKey is UIVFJAFRNBDAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClS/c1-2-7-11-9-5-3-8(10)4-6-9/h3-6H,2,7H2,1H3.
What are the key properties of 1-chloro-4-propylsulfanylbenzene?
1-chloro-4-propylsulfanylbenzene has a molecular weight of 186.71 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-propylsulfanylbenzene is sourced from PubChem (CID 11389837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).