1,2-dimethyl-4-propylsulfanylbenzene

C11H16S — CID 130694880

IUPAC1,2-dimethyl-4-propylsulfanylbenzene
SMILESCCCSc1ccc(C)c(C)c1
InChIInChI=1S/C11H16S/c1-4-7-12-11-6-5-9(2)10(3)8-11/h5-6,8H,4,7H2,1-3H3
InChIKeyWWGFFJCOJSCISA-UHFFFAOYSA-N
MW180.32 g/mol
LogP3.81
Rot. Bonds3

About 1,2-dimethyl-4-propylsulfanylbenzene

1,2-dimethyl-4-propylsulfanylbenzene (PubChem CID 130694880) has the molecular formula C11H16S and a molecular weight of 180.32 g/mol. Its IUPAC name is 1,2-dimethyl-4-propylsulfanylbenzene.

Molecular Properties

Compound Name1,2-dimethyl-4-propylsulfanylbenzene
PubChem CID130694880
Molecular FormulaC11H16S
Molecular Weight180.32 g/mol
Exact Mass180.10
IUPAC Name1,2-dimethyl-4-propylsulfanylbenzene
SMILESCCCSc1ccc(C)c(C)c1
InChIInChI=1S/C11H16S/c1-4-7-12-11-6-5-9(2)10(3)8-11/h5-6,8H,4,7H2,1-3H3
InChIKeyWWGFFJCOJSCISA-UHFFFAOYSA-N
XLogP3.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.32
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-dimethyl-4-propylsulfanylbenzene;ethane;methanesulfonic acid
CID 144520473
2-methyl-1-(2-methyl-4-propylsulfanylphenyl)sulfanyl-4-propylsulfanylbenzene
CID 139623506
1,2-dimethyl-4-(2-phenylsulfanylethylsulfanyl)benzene
CID 79326651
1,2,3-trimethyl-5-propylsulfanylbenzene
CID 163979766
2-[2-(3,4-dimethylphenyl)sulfanylethoxy]ethanamine
CID 94684704
6-(3,4-dimethylphenyl)sulfanylhexan-3-amine
CID 106808280
4-propylsulfanylbenzene-1,2-diamine
CID 3017084
N-[2-(3,4-dimethylphenyl)sulfanylethyl]-2-methoxyethanamine
CID 60719628
5-(3,4-dimethylphenyl)sulfanylpentanenitrile
CID 60701002
N-[3-(3,4-dimethylphenyl)sulfanylpropyl]cyclopentanamine
CID 55092477
N-[2-(3,4-dimethylphenyl)sulfanylethyl]-N',N'-dimethylethane-1,2-diamine
CID 60694983
1,2-dimethyl-4-[2-(2-propan-2-yloxyethoxy)ethylsulfanyl]benzene
CID 142858731

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-propylsulfanylbenzene?
The IUPAC name of 1,2-dimethyl-4-propylsulfanylbenzene (CID 130694880) is 1,2-dimethyl-4-propylsulfanylbenzene.
What is the SMILES notation for 1,2-dimethyl-4-propylsulfanylbenzene?
The canonical SMILES for 1,2-dimethyl-4-propylsulfanylbenzene is CCCSc1ccc(C)c(C)c1.
What is the InChIKey of 1,2-dimethyl-4-propylsulfanylbenzene?
The InChIKey is WWGFFJCOJSCISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16S/c1-4-7-12-11-6-5-9(2)10(3)8-11/h5-6,8H,4,7H2,1-3H3.
What are the key properties of 1,2-dimethyl-4-propylsulfanylbenzene?
1,2-dimethyl-4-propylsulfanylbenzene has a molecular weight of 180.32 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4-propylsulfanylbenzene is sourced from PubChem (CID 130694880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).