2-(thiophen-3-yloxymethyl)oxirane

C7H8O2S — CID 12767980

IUPAC2-(thiophen-3-yloxymethyl)oxirane
SMILESc1cc(OCC2CO2)cs1
InChIInChI=1S/C7H8O2S/c1-2-10-5-6(1)8-3-7-4-9-7/h1-2,5,7H,3-4H2
InChIKeyCYAQUJJJQDZCNS-UHFFFAOYSA-N
MW156.21 g/mol
LogP1.53
Rot. Bonds3

About 2-(thiophen-3-yloxymethyl)oxirane

2-(thiophen-3-yloxymethyl)oxirane (PubChem CID 12767980) has the molecular formula C7H8O2S and a molecular weight of 156.21 g/mol. Its IUPAC name is 2-(thiophen-3-yloxymethyl)oxirane.

Molecular Properties

Compound Name2-(thiophen-3-yloxymethyl)oxirane
PubChem CID12767980
Molecular FormulaC7H8O2S
Molecular Weight156.21 g/mol
Exact Mass156.02
IUPAC Name2-(thiophen-3-yloxymethyl)oxirane
SMILESc1cc(OCC2CO2)cs1
InChIInChI=1S/C7H8O2S/c1-2-10-5-6(1)8-3-7-4-9-7/h1-2,5,7H,3-4H2
InChIKeyCYAQUJJJQDZCNS-UHFFFAOYSA-N
XLogP1.53
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[[4-[[(2S)-oxiran-2-yl]methoxy]phenoxy]methyl]oxirane
CID 677176
methane;4-(oxiran-2-ylmethoxy)phenol
CID 159818409
(2S)-2-[(5-fluoro-2-thiophen-3-ylphenoxy)methyl]oxirane
CID 131853368
ethane;tetrakis(2-(phenoxymethyl)oxirane)
CID 160621496
2-[2-(oxiran-2-ylmethoxy)ethoxymethyl]oxirane;2-[[4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane
CID 146313445
bis[4-(oxiran-2-ylmethoxy)phenyl]diazene
CID 4055525
ethene;2-(phenoxymethyl)oxirane
CID 135283522
ethane;(2S)-2-(phenoxymethyl)oxirane
CID 164913694
2-[[4-(oxiran-2-ylmethoxymethyl)phenoxy]methyl]oxirane
CID 86030430
4-[2-[4-[[(2S)-oxiran-2-yl]methoxy]phenyl]propan-2-yl]phenol
CID 88996492
naphthalene-2,6-diol;2-[[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxymethyl]oxirane
CID 167603505
CID 59015330
CID 59015330

Frequently Asked Questions

What is the IUPAC name of 2-(thiophen-3-yloxymethyl)oxirane?
The IUPAC name of 2-(thiophen-3-yloxymethyl)oxirane (CID 12767980) is 2-(thiophen-3-yloxymethyl)oxirane.
What is the SMILES notation for 2-(thiophen-3-yloxymethyl)oxirane?
The canonical SMILES for 2-(thiophen-3-yloxymethyl)oxirane is c1cc(OCC2CO2)cs1.
What is the InChIKey of 2-(thiophen-3-yloxymethyl)oxirane?
The InChIKey is CYAQUJJJQDZCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2S/c1-2-10-5-6(1)8-3-7-4-9-7/h1-2,5,7H,3-4H2.
What are the key properties of 2-(thiophen-3-yloxymethyl)oxirane?
2-(thiophen-3-yloxymethyl)oxirane has a molecular weight of 156.21 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiophen-3-yloxymethyl)oxirane is sourced from PubChem (CID 12767980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).