2-ethynylsulfinyl-2-methylpropane

C6H10OS — CID 545180

IUPAC2-ethynylsulfinyl-2-methylpropane
SMILESC#CS(=O)C(C)(C)C
InChIInChI=1S/C6H10OS/c1-5-8(7)6(2,3)4/h1H,2-4H3
InChIKeyUGEAWTADJZJZEN-UHFFFAOYSA-N
MW130.21 g/mol
LogP1.12
Rot. Bonds

About 2-ethynylsulfinyl-2-methylpropane

2-ethynylsulfinyl-2-methylpropane (PubChem CID 545180) has the molecular formula C6H10OS and a molecular weight of 130.21 g/mol. Its IUPAC name is 2-ethynylsulfinyl-2-methylpropane.

Molecular Properties

Compound Name2-ethynylsulfinyl-2-methylpropane
PubChem CID545180
Molecular FormulaC6H10OS
Molecular Weight130.21 g/mol
Exact Mass130.05
IUPAC Name2-ethynylsulfinyl-2-methylpropane
SMILESC#CS(=O)C(C)(C)C
InChIInChI=1S/C6H10OS/c1-5-8(7)6(2,3)4/h1H,2-4H3
InChIKeyUGEAWTADJZJZEN-UHFFFAOYSA-N
XLogP1.12
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.21
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

tert-Butyl methyl sulfoxide
CID 139684
tert-Butyl methyl sulfoxide, (+)-
CID 10964477
tert-Butyl methyl sulfoxide, (-)-
CID 11094592
t-Butylsulfonylacetylene
CID 129655477
3-Methyl-3-methylsulfinylbut-1-yne
CID 89314177
2-Ethynylsulfinylpropane
CID 178443414
CID 88090870
CID 88090870

Frequently Asked Questions

What is the IUPAC name of 2-ethynylsulfinyl-2-methylpropane?
The IUPAC name of 2-ethynylsulfinyl-2-methylpropane (CID 545180) is 2-ethynylsulfinyl-2-methylpropane.
What is the SMILES notation for 2-ethynylsulfinyl-2-methylpropane?
The canonical SMILES for 2-ethynylsulfinyl-2-methylpropane is C#CS(=O)C(C)(C)C.
What is the InChIKey of 2-ethynylsulfinyl-2-methylpropane?
The InChIKey is UGEAWTADJZJZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10OS/c1-5-8(7)6(2,3)4/h1H,2-4H3.
What are the key properties of 2-ethynylsulfinyl-2-methylpropane?
2-ethynylsulfinyl-2-methylpropane has a molecular weight of 130.21 g/mol, XLogP of 1.12, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethynylsulfinyl-2-methylpropane is sourced from PubChem (CID 545180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).