2-(2,2-dimethylpropylsulfanyl)-3-methylpentane

C11H24S — CID 58422316

IUPAC2-(2,2-dimethylpropylsulfanyl)-3-methylpentane
SMILESCCC(C)C(C)SCC(C)(C)C
InChIInChI=1S/C11H24S/c1-7-9(2)10(3)12-8-11(4,5)6/h9-10H,7-8H2,1-6H3
InChIKeyYCIYGCIKARZYPT-UHFFFAOYSA-N
MW188.38 g/mol
LogP4.20
Rot. Bonds4

About 2-(2,2-dimethylpropylsulfanyl)-3-methylpentane

2-(2,2-dimethylpropylsulfanyl)-3-methylpentane (PubChem CID 58422316) has the molecular formula C11H24S and a molecular weight of 188.38 g/mol. Its IUPAC name is 2-(2,2-dimethylpropylsulfanyl)-3-methylpentane.

Molecular Properties

Compound Name2-(2,2-dimethylpropylsulfanyl)-3-methylpentane
PubChem CID58422316
Molecular FormulaC11H24S
Molecular Weight188.38 g/mol
Exact Mass188.16
IUPAC Name2-(2,2-dimethylpropylsulfanyl)-3-methylpentane
SMILESCCC(C)C(C)SCC(C)(C)C
InChIInChI=1S/C11H24S/c1-7-9(2)10(3)12-8-11(4,5)6/h9-10H,7-8H2,1-6H3
InChIKeyYCIYGCIKARZYPT-UHFFFAOYSA-N
XLogP4.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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

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Related Compounds

2-(tert-butyldisulfanyl)-3-methylpentane
CID 170145664
1-(difluoromethylsulfanyl)-2,2-dimethylpropane
CID 90326318
4-(2,2-dimethylpropylsulfanyl)pent-1-ene
CID 138478178
2,2,5-trimethyl-4-propan-2-ylsulfanylheptane
CID 166814023
(3R,4R)-3,4-dimethylhexane;methane
CID 159261482
2,2-dimethylbutane;2,3-dimethylpentane;methane;bis(2-methylbutane)
CID 158330539
3,5,7,7-tetramethyloctan-4-ol
CID 156689232
3,4,5,6-tetramethyloctan-4-ol
CID 121007351
1-N-(2,2-dimethylpropyl)-3-methylpentane-1,2-diamine
CID 61168462
2,2,3,4,5-pentamethylheptane
CID 53428630
2,2-dimethylbutane;2-methylbutane;pentane
CID 158103656
(4R)-3-ethyl-4-methylhexane
CID 59954491

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropylsulfanyl)-3-methylpentane?
The IUPAC name of 2-(2,2-dimethylpropylsulfanyl)-3-methylpentane (CID 58422316) is 2-(2,2-dimethylpropylsulfanyl)-3-methylpentane.
What is the SMILES notation for 2-(2,2-dimethylpropylsulfanyl)-3-methylpentane?
The canonical SMILES for 2-(2,2-dimethylpropylsulfanyl)-3-methylpentane is CCC(C)C(C)SCC(C)(C)C.
What is the InChIKey of 2-(2,2-dimethylpropylsulfanyl)-3-methylpentane?
The InChIKey is YCIYGCIKARZYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24S/c1-7-9(2)10(3)12-8-11(4,5)6/h9-10H,7-8H2,1-6H3.
What are the key properties of 2-(2,2-dimethylpropylsulfanyl)-3-methylpentane?
2-(2,2-dimethylpropylsulfanyl)-3-methylpentane has a molecular weight of 188.38 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropylsulfanyl)-3-methylpentane is sourced from PubChem (CID 58422316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).