1-(2-methylpropyl)-3-(2-methylpropylsulfanylmethyl)benzene

C15H24S — CID 126713363

IUPAC1-(2-methylpropyl)-3-(2-methylpropylsulfanylmethyl)benzene
SMILESCC(C)CSCc1cccc(CC(C)C)c1
InChIInChI=1S/C15H24S/c1-12(2)8-14-6-5-7-15(9-14)11-16-10-13(3)4/h5-7,9,12-13H,8,10-11H2,1-4H3
InChIKeyIKAZVEWOHVUSAE-UHFFFAOYSA-N
MW236.42 g/mol
LogP4.77
Rot. Bonds6

About 1-(2-methylpropyl)-3-(2-methylpropylsulfanylmethyl)benzene

1-(2-methylpropyl)-3-(2-methylpropylsulfanylmethyl)benzene (PubChem CID 126713363) has the molecular formula C15H24S and a molecular weight of 236.42 g/mol. Its IUPAC name is 1-(2-methylpropyl)-3-(2-methylpropylsulfanylmethyl)benzene.

Molecular Properties

Compound Name1-(2-methylpropyl)-3-(2-methylpropylsulfanylmethyl)benzene
PubChem CID126713363
Molecular FormulaC15H24S
Molecular Weight236.42 g/mol
Exact Mass236.16
IUPAC Name1-(2-methylpropyl)-3-(2-methylpropylsulfanylmethyl)benzene
SMILESCC(C)CSCc1cccc(CC(C)C)c1
InChIInChI=1S/C15H24S/c1-12(2)8-14-6-5-7-15(9-14)11-16-10-13(3)4/h5-7,9,12-13H,8,10-11H2,1-4H3
InChIKeyIKAZVEWOHVUSAE-UHFFFAOYSA-N
XLogP4.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.42
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(ethylsulfanylmethyl)-3-(2-methylpropylsulfanylmethyl)benzene
CID 139383873
N'-hydroxy-3-(2-methylpropylsulfanylmethyl)benzenecarboximidamide
CID 43125833
ethane;1-ethyl-3-(2-methylpropyl)benzene;molecular hydrogen
CID 142978471
1-iodo-3-(2-methylpropyl)benzene
CID 18417600
1-(3-fluorophenyl)-3-(2-methylpropylsulfanyl)propan-2-amine
CID 65135054
ethane;1-fluoro-3-(2-methylpropyl)benzene
CID 142079473
1-(3-methylbutyl)-3-(2-methylpropyl)benzene;1-(3-methylbutyl)-4-(2-methylpropyl)benzene
CID 158814859
ethane;2-(2-methylpropylsulfanylmethyl)-6-(propylsulfanylmethyl)naphthalene
CID 166117760
2-methyl-3-[3-(2-methylpropyl)phenyl]-N-propan-2-ylpropan-1-amine
CID 116545803
1-chloro-4-[[3-(2-methylpropyl)phenyl]methyl]benzene
CID 178142116
2-bromo-1-methoxy-4-(2-methylpropylsulfanylmethyl)benzene
CID 55027647
4-[3-(2-methylpropyl)phenyl]butan-2-one
CID 116545690

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-3-(2-methylpropylsulfanylmethyl)benzene?
The IUPAC name of 1-(2-methylpropyl)-3-(2-methylpropylsulfanylmethyl)benzene (CID 126713363) is 1-(2-methylpropyl)-3-(2-methylpropylsulfanylmethyl)benzene.
What is the SMILES notation for 1-(2-methylpropyl)-3-(2-methylpropylsulfanylmethyl)benzene?
The canonical SMILES for 1-(2-methylpropyl)-3-(2-methylpropylsulfanylmethyl)benzene is CC(C)CSCc1cccc(CC(C)C)c1.
What is the InChIKey of 1-(2-methylpropyl)-3-(2-methylpropylsulfanylmethyl)benzene?
The InChIKey is IKAZVEWOHVUSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24S/c1-12(2)8-14-6-5-7-15(9-14)11-16-10-13(3)4/h5-7,9,12-13H,8,10-11H2,1-4H3.
What are the key properties of 1-(2-methylpropyl)-3-(2-methylpropylsulfanylmethyl)benzene?
1-(2-methylpropyl)-3-(2-methylpropylsulfanylmethyl)benzene has a molecular weight of 236.42 g/mol, XLogP of 4.77, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-3-(2-methylpropylsulfanylmethyl)benzene is sourced from PubChem (CID 126713363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).