2-methyl-1-(2-methylpropylsulfinyl)propane

C8H18OS — CID 18328

IUPAC2-methyl-1-(2-methylpropylsulfinyl)propane
SMILESCC(C)CS(=O)CC(C)C
InChIInChI=1S/C8H18OS/c1-7(2)5-10(9)6-8(3)4/h7-8H,5-6H2,1-4H3
InChIKeyMCDJZKPTBCWNSJ-UHFFFAOYSA-N
MW162.30 g/mol
LogP2.05
Rot. Bonds4

About 2-methyl-1-(2-methylpropylsulfinyl)propane

2-methyl-1-(2-methylpropylsulfinyl)propane (PubChem CID 18328) has the molecular formula C8H18OS and a molecular weight of 162.30 g/mol. Its IUPAC name is 2-methyl-1-(2-methylpropylsulfinyl)propane.

Molecular Properties

Compound Name2-methyl-1-(2-methylpropylsulfinyl)propane
PubChem CID18328
Molecular FormulaC8H18OS
Molecular Weight162.30 g/mol
Exact Mass162.11
IUPAC Name2-methyl-1-(2-methylpropylsulfinyl)propane
SMILESCC(C)CS(=O)CC(C)C
InChIInChI=1S/C8H18OS/c1-7(2)5-10(9)6-8(3)4/h7-8H,5-6H2,1-4H3
InChIKeyMCDJZKPTBCWNSJ-UHFFFAOYSA-N
XLogP2.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.30
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Isopentyl sulfoxide
CID 24407
Dibutyl sulfoxide
CID 16568
Hexyl sulfoxide
CID 16593
Pentyl sulfoxide
CID 74806
Diisobutyl sulfone
CID 139169
Butane, 3-methyl-1-(methylsulfinyl)-
CID 143316
i-Butylmethylsulfoxide
CID 12176490
2-((1-Methylpropyl)sulfinyl)butane
CID 114469
Propyl 1-(propylsulfinyl)propyl disulfide
CID 85752107
Sulfoxide, butyl isopropyl
CID 538410
Sulfoxide, butyl propyl
CID 564183
Propane, 1,1'-[1,2-ethanediylbis(sulfinyl)]bis-
CID 6377263

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylpropylsulfinyl)propane?
The IUPAC name of 2-methyl-1-(2-methylpropylsulfinyl)propane (CID 18328) is 2-methyl-1-(2-methylpropylsulfinyl)propane.
What is the SMILES notation for 2-methyl-1-(2-methylpropylsulfinyl)propane?
The canonical SMILES for 2-methyl-1-(2-methylpropylsulfinyl)propane is CC(C)CS(=O)CC(C)C.
What is the InChIKey of 2-methyl-1-(2-methylpropylsulfinyl)propane?
The InChIKey is MCDJZKPTBCWNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18OS/c1-7(2)5-10(9)6-8(3)4/h7-8H,5-6H2,1-4H3.
What are the key properties of 2-methyl-1-(2-methylpropylsulfinyl)propane?
2-methyl-1-(2-methylpropylsulfinyl)propane has a molecular weight of 162.30 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylpropylsulfinyl)propane is sourced from PubChem (CID 18328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).