2-methyl-4-(propan-2-ylsulfanylmethyl)hexane

C11H24S — CID 146612405

IUPAC2-methyl-4-(propan-2-ylsulfanylmethyl)hexane
SMILESCCC(CSC(C)C)CC(C)C
InChIInChI=1S/C11H24S/c1-6-11(7-9(2)3)8-12-10(4)5/h9-11H,6-8H2,1-5H3
InChIKeyNWXUVDYEAGHBNY-UHFFFAOYSA-N
MW188.38 g/mol
LogP4.20
Rot. Bonds6

About 2-methyl-4-(propan-2-ylsulfanylmethyl)hexane

2-methyl-4-(propan-2-ylsulfanylmethyl)hexane (PubChem CID 146612405) has the molecular formula C11H24S and a molecular weight of 188.38 g/mol. Its IUPAC name is 2-methyl-4-(propan-2-ylsulfanylmethyl)hexane.

Molecular Properties

Compound Name2-methyl-4-(propan-2-ylsulfanylmethyl)hexane
PubChem CID146612405
Molecular FormulaC11H24S
Molecular Weight188.38 g/mol
Exact Mass188.16
IUPAC Name2-methyl-4-(propan-2-ylsulfanylmethyl)hexane
SMILESCCC(CSC(C)C)CC(C)C
InChIInChI=1S/C11H24S/c1-6-11(7-9(2)3)8-12-10(4)5/h9-11H,6-8H2,1-5H3
InChIKeyNWXUVDYEAGHBNY-UHFFFAOYSA-N
XLogP4.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.38
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-methyl-4-(propan-2-ylsulfanylmethyl)hexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(4-ethyl-2-methylhexane);2-methylbutane
CID 161441490
5,9-diethyl-7-(2-methylpropyl)tridecane
CID 173141748
4-ethyl-2-methyldecane
CID 19893744
8-ethyl-2-methyl-4-propyldodecane
CID 123360222
4-ethyl-2,7-dimethyloctane
CID 53423923
4-ethyl-2-methylheptane;methane
CID 160575103
2,4-dimethylpentane;pentane
CID 161023213
4-methyl-1-propan-2-ylsulfanylhexan-2-amine
CID 65131873
CID 88668128
CID 88668128
(6S)-6-ethyl-2,4-dimethylnonane
CID 144657446
ethane;4-ethyl-2-methylhexane;propane;bis(prop-1-ene)
CID 143418802
2-methyl-5-(2-methylpropyl)nonane
CID 57492288

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(propan-2-ylsulfanylmethyl)hexane?
The IUPAC name of 2-methyl-4-(propan-2-ylsulfanylmethyl)hexane (CID 146612405) is 2-methyl-4-(propan-2-ylsulfanylmethyl)hexane.
What is the SMILES notation for 2-methyl-4-(propan-2-ylsulfanylmethyl)hexane?
The canonical SMILES for 2-methyl-4-(propan-2-ylsulfanylmethyl)hexane is CCC(CSC(C)C)CC(C)C.
What is the InChIKey of 2-methyl-4-(propan-2-ylsulfanylmethyl)hexane?
The InChIKey is NWXUVDYEAGHBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24S/c1-6-11(7-9(2)3)8-12-10(4)5/h9-11H,6-8H2,1-5H3.
What are the key properties of 2-methyl-4-(propan-2-ylsulfanylmethyl)hexane?
2-methyl-4-(propan-2-ylsulfanylmethyl)hexane has a molecular weight of 188.38 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(propan-2-ylsulfanylmethyl)hexane is sourced from PubChem (CID 146612405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).