4-methylsulfinylpent-2-yne

C6H10OS — CID 89314123

IUPAC4-methylsulfinylpent-2-yne
SMILESCC#CC(C)S(C)=O
InChIInChI=1S/C6H10OS/c1-4-5-6(2)8(3)7/h6H,1-3H3
InChIKeyMBVFALLHODUEFM-UHFFFAOYSA-N
MW130.21 g/mol
LogP0.78
Rot. Bonds1

About 4-methylsulfinylpent-2-yne

4-methylsulfinylpent-2-yne (PubChem CID 89314123) has the molecular formula C6H10OS and a molecular weight of 130.21 g/mol. Its IUPAC name is 4-methylsulfinylpent-2-yne.

Molecular Properties

Compound Name4-methylsulfinylpent-2-yne
PubChem CID89314123
Molecular FormulaC6H10OS
Molecular Weight130.21 g/mol
Exact Mass130.05
IUPAC Name4-methylsulfinylpent-2-yne
SMILESCC#CC(C)S(C)=O
InChIInChI=1S/C6H10OS/c1-4-5-6(2)8(3)7/h6H,1-3H3
InChIKeyMBVFALLHODUEFM-UHFFFAOYSA-N
XLogP0.78
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.21
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfinylpent-2-yne?
The IUPAC name of 4-methylsulfinylpent-2-yne (CID 89314123) is 4-methylsulfinylpent-2-yne.
What is the SMILES notation for 4-methylsulfinylpent-2-yne?
The canonical SMILES for 4-methylsulfinylpent-2-yne is CC#CC(C)S(C)=O.
What is the InChIKey of 4-methylsulfinylpent-2-yne?
The InChIKey is MBVFALLHODUEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10OS/c1-4-5-6(2)8(3)7/h6H,1-3H3.
What are the key properties of 4-methylsulfinylpent-2-yne?
4-methylsulfinylpent-2-yne has a molecular weight of 130.21 g/mol, XLogP of 0.78, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfinylpent-2-yne is sourced from PubChem (CID 89314123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).