1-(2-methylsulfanylpropan-2-yl)-3-propylbenzene

C13H20S — CID 91471137

IUPAC1-(2-methylsulfanylpropan-2-yl)-3-propylbenzene
SMILESCCCc1cccc(C(C)(C)SC)c1
InChIInChI=1S/C13H20S/c1-5-7-11-8-6-9-12(10-11)13(2,3)14-4/h6,8-10H,5,7H2,1-4H3
InChIKeyLGQZROAPDJYYTM-UHFFFAOYSA-N
MW208.37 g/mol
LogP4.24
Rot. Bonds4

About 1-(2-methylsulfanylpropan-2-yl)-3-propylbenzene

1-(2-methylsulfanylpropan-2-yl)-3-propylbenzene (PubChem CID 91471137) has the molecular formula C13H20S and a molecular weight of 208.37 g/mol. Its IUPAC name is 1-(2-methylsulfanylpropan-2-yl)-3-propylbenzene.

Molecular Properties

Compound Name1-(2-methylsulfanylpropan-2-yl)-3-propylbenzene
PubChem CID91471137
Molecular FormulaC13H20S
Molecular Weight208.37 g/mol
Exact Mass208.13
IUPAC Name1-(2-methylsulfanylpropan-2-yl)-3-propylbenzene
SMILESCCCc1cccc(C(C)(C)SC)c1
InChIInChI=1S/C13H20S/c1-5-7-11-8-6-9-12(10-11)13(2,3)14-4/h6,8-10H,5,7H2,1-4H3
InChIKeyLGQZROAPDJYYTM-UHFFFAOYSA-N
XLogP4.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.37
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-4-[2-(3-propylphenyl)propan-2-yl]benzene
CID 123328001
1-tert-butyl-3-(2,2-dimethylpropyl)benzene;1-(2,2-dimethylpropyl)-3-propylbenzene
CID 145400173
3-(3-propylphenyl)pentan-3-ol
CID 116542305
1,1,1,3,3,3-hexafluoro-2-(3-propylphenyl)propan-2-ol
CID 20728974
1-(3,5-dimethylphenyl)-1-(3-propylphenyl)ethanol
CID 116542790
1-methoxy-2-(3-propylphenyl)propan-2-amine
CID 116542989
4-[2-methyl-2-(3-propylphenyl)propyl]pyridine
CID 166741280
1-(4-fluorophenyl)-1-(3-propylphenyl)ethanol
CID 116542276
4,5,5,5-tetrafluoro-2-(3-propylphenyl)-4-(trifluoromethyl)pentan-2-ol
CID 156764819
3-[1-hydroxy-1-(3-propylphenyl)ethyl]benzonitrile
CID 116542774
1-(2-chlorophenyl)-1-(3-propylphenyl)ethanol
CID 116542288
1-(4-fluorophenyl)-2-(3-propylphenyl)propan-2-amine
CID 114833794

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfanylpropan-2-yl)-3-propylbenzene?
The IUPAC name of 1-(2-methylsulfanylpropan-2-yl)-3-propylbenzene (CID 91471137) is 1-(2-methylsulfanylpropan-2-yl)-3-propylbenzene.
What is the SMILES notation for 1-(2-methylsulfanylpropan-2-yl)-3-propylbenzene?
The canonical SMILES for 1-(2-methylsulfanylpropan-2-yl)-3-propylbenzene is CCCc1cccc(C(C)(C)SC)c1.
What is the InChIKey of 1-(2-methylsulfanylpropan-2-yl)-3-propylbenzene?
The InChIKey is LGQZROAPDJYYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20S/c1-5-7-11-8-6-9-12(10-11)13(2,3)14-4/h6,8-10H,5,7H2,1-4H3.
What are the key properties of 1-(2-methylsulfanylpropan-2-yl)-3-propylbenzene?
1-(2-methylsulfanylpropan-2-yl)-3-propylbenzene has a molecular weight of 208.37 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfanylpropan-2-yl)-3-propylbenzene is sourced from PubChem (CID 91471137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).