2-methyl-3-propan-2-ylsulfinyloxirane

C6H12O2S — CID 58911956

IUPAC2-methyl-3-propan-2-ylsulfinyloxirane
SMILESCC1OC1S(=O)C(C)C
InChIInChI=1S/C6H12O2S/c1-4(2)9(7)6-5(3)8-6/h4-6H,1-3H3
InChIKeyYIPKBWZQFVSLRM-UHFFFAOYSA-N
MW148.23 g/mol
LogP0.89
Rot. Bonds2

About 2-methyl-3-propan-2-ylsulfinyloxirane

2-methyl-3-propan-2-ylsulfinyloxirane (PubChem CID 58911956) has the molecular formula C6H12O2S and a molecular weight of 148.23 g/mol. Its IUPAC name is 2-methyl-3-propan-2-ylsulfinyloxirane.

Molecular Properties

Compound Name2-methyl-3-propan-2-ylsulfinyloxirane
PubChem CID58911956
Molecular FormulaC6H12O2S
Molecular Weight148.23 g/mol
Exact Mass148.06
IUPAC Name2-methyl-3-propan-2-ylsulfinyloxirane
SMILESCC1OC1S(=O)C(C)C
InChIInChI=1S/C6H12O2S/c1-4(2)9(7)6-5(3)8-6/h4-6H,1-3H3
InChIKeyYIPKBWZQFVSLRM-UHFFFAOYSA-N
XLogP0.89
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-propan-2-ylsulfinyloxirane?
The IUPAC name of 2-methyl-3-propan-2-ylsulfinyloxirane (CID 58911956) is 2-methyl-3-propan-2-ylsulfinyloxirane.
What is the SMILES notation for 2-methyl-3-propan-2-ylsulfinyloxirane?
The canonical SMILES for 2-methyl-3-propan-2-ylsulfinyloxirane is CC1OC1S(=O)C(C)C.
What is the InChIKey of 2-methyl-3-propan-2-ylsulfinyloxirane?
The InChIKey is YIPKBWZQFVSLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2S/c1-4(2)9(7)6-5(3)8-6/h4-6H,1-3H3.
What are the key properties of 2-methyl-3-propan-2-ylsulfinyloxirane?
2-methyl-3-propan-2-ylsulfinyloxirane has a molecular weight of 148.23 g/mol, XLogP of 0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-propan-2-ylsulfinyloxirane is sourced from PubChem (CID 58911956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).