2-methyl-3-(methylsulfanylmethyl)oxirane

C5H10OS — CID 123693452

IUPAC2-methyl-3-(methylsulfanylmethyl)oxirane
SMILESCSCC1OC1C
InChIInChI=1S/C5H10OS/c1-4-5(6-4)3-7-2/h4-5H,3H2,1-2H3
InChIKeyCMIMVBGIPCNKGJ-UHFFFAOYSA-N
MW118.20 g/mol
LogP1.14
Rot. Bonds2

About 2-methyl-3-(methylsulfanylmethyl)oxirane

2-methyl-3-(methylsulfanylmethyl)oxirane (PubChem CID 123693452) has the molecular formula C5H10OS and a molecular weight of 118.20 g/mol. Its IUPAC name is 2-methyl-3-(methylsulfanylmethyl)oxirane.

Molecular Properties

Compound Name2-methyl-3-(methylsulfanylmethyl)oxirane
PubChem CID123693452
Molecular FormulaC5H10OS
Molecular Weight118.20 g/mol
Exact Mass118.05
IUPAC Name2-methyl-3-(methylsulfanylmethyl)oxirane
SMILESCSCC1OC1C
InChIInChI=1S/C5H10OS/c1-4-5(6-4)3-7-2/h4-5H,3H2,1-2H3
InChIKeyCMIMVBGIPCNKGJ-UHFFFAOYSA-N
XLogP1.14
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.20
LogP ≤ 51.14
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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Related Compounds

2-(Methoxymethyl)thiirane
CID 29837
Oxirane, (ethylthiomethyl)-
CID 143048
((Methylthio)methyl)oxirane
CID 548390
1,3-Bis(methylthio)-2-methoxypropane
CID 520544
2-(Ethoxymethyl)thiirane
CID 474248
(2S)-2-[(Methylsulfanyl)methyl]oxirane
CID 51656362
Thiirane, (butoxymethyl)-
CID 141699
Thiirane, [(1-methylethoxy)methyl]-
CID 11007949
Oxirane, [(butylthio)methyl]-
CID 12274470
Butoxy propylene sulfide
CID 100969507
Methoxy methyl thiirane
CID 129695203
2-(Propan-2-ylsulfanylmethyl)oxirane
CID 241740

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylsulfanylmethyl)oxirane?
The IUPAC name of 2-methyl-3-(methylsulfanylmethyl)oxirane (CID 123693452) is 2-methyl-3-(methylsulfanylmethyl)oxirane.
What is the SMILES notation for 2-methyl-3-(methylsulfanylmethyl)oxirane?
The canonical SMILES for 2-methyl-3-(methylsulfanylmethyl)oxirane is CSCC1OC1C.
What is the InChIKey of 2-methyl-3-(methylsulfanylmethyl)oxirane?
The InChIKey is CMIMVBGIPCNKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10OS/c1-4-5(6-4)3-7-2/h4-5H,3H2,1-2H3.
What are the key properties of 2-methyl-3-(methylsulfanylmethyl)oxirane?
2-methyl-3-(methylsulfanylmethyl)oxirane has a molecular weight of 118.20 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylsulfanylmethyl)oxirane is sourced from PubChem (CID 123693452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).