2-methyl-2-(sulfanyloxymethyl)oxirane

C4H8O2S — CID 141439359

IUPAC2-methyl-2-(sulfanyloxymethyl)oxirane
SMILESCC1(COS)CO1
InChIInChI=1S/C4H8O2S/c1-4(2-5-4)3-6-7/h7H,2-3H2,1H3
InChIKeyOYGCRLIAIJTLGF-UHFFFAOYSA-N
MW120.17 g/mol
LogP0.64
Rot. Bonds2

About 2-methyl-2-(sulfanyloxymethyl)oxirane

2-methyl-2-(sulfanyloxymethyl)oxirane (PubChem CID 141439359) has the molecular formula C4H8O2S and a molecular weight of 120.17 g/mol. Its IUPAC name is 2-methyl-2-(sulfanyloxymethyl)oxirane.

Molecular Properties

Compound Name2-methyl-2-(sulfanyloxymethyl)oxirane
PubChem CID141439359
Molecular FormulaC4H8O2S
Molecular Weight120.17 g/mol
Exact Mass120.02
IUPAC Name2-methyl-2-(sulfanyloxymethyl)oxirane
SMILESCC1(COS)CO1
InChIInChI=1S/C4H8O2S/c1-4(2-5-4)3-6-7/h7H,2-3H2,1H3
InChIKeyOYGCRLIAIJTLGF-UHFFFAOYSA-N
XLogP0.64
TPSA21.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.17
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(2-methyloxiran-2-yl)methanethiol
CID 141439358
(2-methyloxiran-2-yl)methyl acetate
CID 10103200
[(2R)-2-methyloxiran-2-yl]methyl methanesulfonate
CID 59711067
[(2S)-2-methyloxiran-2-yl]methyl methanesulfonate
CID 59711072
2-[(4,4-dimethylcyclohexyl)oxymethyl]-2-methyloxirane
CID 114340893
2-methyl-2-(2-propoxyethoxymethyl)oxirane
CID 59969166
trimethoxy-[(2-methyloxiran-2-yl)methyl]silane
CID 139924791
2-methyl-2-(pentoxymethyl)oxirane
CID 23468435
[(2S)-2-methyloxiran-2-yl]methyl propanoate
CID 100919091
2-(heptoxymethyl)-2-methyloxirane
CID 23468444
2-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)oxirane
CID 172557409
2-methyl-2-[1-[(2-methyloxiran-2-yl)methoxy]propan-2-yloxymethyl]oxirane
CID 88797700

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(sulfanyloxymethyl)oxirane?
The IUPAC name of 2-methyl-2-(sulfanyloxymethyl)oxirane (CID 141439359) is 2-methyl-2-(sulfanyloxymethyl)oxirane.
What is the SMILES notation for 2-methyl-2-(sulfanyloxymethyl)oxirane?
The canonical SMILES for 2-methyl-2-(sulfanyloxymethyl)oxirane is CC1(COS)CO1.
What is the InChIKey of 2-methyl-2-(sulfanyloxymethyl)oxirane?
The InChIKey is OYGCRLIAIJTLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2S/c1-4(2-5-4)3-6-7/h7H,2-3H2,1H3.
What are the key properties of 2-methyl-2-(sulfanyloxymethyl)oxirane?
2-methyl-2-(sulfanyloxymethyl)oxirane has a molecular weight of 120.17 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(sulfanyloxymethyl)oxirane is sourced from PubChem (CID 141439359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).