2-(methoxymethyl)thiirane

C4H8OS — CID 29837

IUPAC2-(methoxymethyl)thiirane
SMILESCOCC1CS1
InChIInChI=1S/C4H8OS/c1-5-2-4-3-6-4/h4H,2-3H2,1H3
InChIKeySVUNGRWSYPGFNP-UHFFFAOYSA-N
MW104.17 g/mol
LogP0.75
Rot. Bonds2

About 2-(methoxymethyl)thiirane

2-(methoxymethyl)thiirane (PubChem CID 29837) has the molecular formula C4H8OS and a molecular weight of 104.17 g/mol. Its IUPAC name is 2-(methoxymethyl)thiirane.

Molecular Properties

Compound Name2-(methoxymethyl)thiirane
PubChem CID29837
Molecular FormulaC4H8OS
Molecular Weight104.17 g/mol
Exact Mass104.03
IUPAC Name2-(methoxymethyl)thiirane
SMILESCOCC1CS1
InChIInChI=1S/C4H8OS/c1-5-2-4-3-6-4/h4H,2-3H2,1H3
InChIKeySVUNGRWSYPGFNP-UHFFFAOYSA-N
XLogP0.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.17
LogP ≤ 50.75
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

8-(methoxymethyl)-1,4-dioxa-7,10-dithiacyclododecane
CID 15186321
2,6-bis(thiiran-2-ylmethoxy)thiane
CID 87707452
3-methoxy-5-(methoxymethyl)thiolan-2-ol
CID 144905810
2-[[5-(thiiran-2-ylmethoxymethyl)-1,4-diselenan-2-yl]methoxymethyl]thiirane
CID 18410121
ethane;2-[(2-methylphenoxy)methyl]thiirane
CID 144517451
2-(methoxymethyl)-3-methylthiirane
CID 59782905
trans-(1S,2R)-2-(methoxymethyl)cyclopropan-1-amine
CID 131115476
(2R)-2-[(4-chlorophenoxy)methyl]thiirane
CID 28660438
2,5-bis(methoxymethyl)oxolane
CID 57041378
1-(methoxymethyl)-4-[2-[4-(methoxymethyl)cyclohexyl]ethyl]cyclohexane
CID 19899769
cis-(1S,2R)-1-methoxy-2-(methoxymethyl)cyclohexane
CID 164821993
5-(methoxymethyl)-3,3-dimethylthiomorpholine
CID 107511181

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)thiirane?
The IUPAC name of 2-(methoxymethyl)thiirane (CID 29837) is 2-(methoxymethyl)thiirane.
What is the SMILES notation for 2-(methoxymethyl)thiirane?
The canonical SMILES for 2-(methoxymethyl)thiirane is COCC1CS1.
What is the InChIKey of 2-(methoxymethyl)thiirane?
The InChIKey is SVUNGRWSYPGFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8OS/c1-5-2-4-3-6-4/h4H,2-3H2,1H3.
What are the key properties of 2-(methoxymethyl)thiirane?
2-(methoxymethyl)thiirane has a molecular weight of 104.17 g/mol, XLogP of 0.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)thiirane is sourced from PubChem (CID 29837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).