(2S)-2-(thiophen-2-ylmethoxymethyl)oxirane

C8H10O2S — CID 7127504

IUPAC(2S)-2-(thiophen-2-ylmethoxymethyl)oxirane
SMILESc1csc(COC[C@@H]2CO2)c1
InChIInChI=1S/C8H10O2S/c1-2-8(11-3-1)6-9-4-7-5-10-7/h1-3,7H,4-6H2/t7-/m1/s1
InChIKeyHHAXOENJRXKJRX-SSDOTTSWSA-N
MW170.23 g/mol
LogP1.66
Rot. Bonds4

About (2S)-2-(thiophen-2-ylmethoxymethyl)oxirane

(2S)-2-(thiophen-2-ylmethoxymethyl)oxirane (PubChem CID 7127504) has the molecular formula C8H10O2S and a molecular weight of 170.23 g/mol. Its IUPAC name is (2S)-2-(thiophen-2-ylmethoxymethyl)oxirane.

Molecular Properties

Compound Name(2S)-2-(thiophen-2-ylmethoxymethyl)oxirane
PubChem CID7127504
Molecular FormulaC8H10O2S
Molecular Weight170.23 g/mol
Exact Mass170.04
IUPAC Name(2S)-2-(thiophen-2-ylmethoxymethyl)oxirane
SMILESc1csc(COC[C@@H]2CO2)c1
InChIInChI=1S/C8H10O2S/c1-2-8(11-3-1)6-9-4-7-5-10-7/h1-3,7H,4-6H2/t7-/m1/s1
InChIKeyHHAXOENJRXKJRX-SSDOTTSWSA-N
XLogP1.66
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 51.66
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

2-[[2,4,5-tris(oxiran-2-ylmethoxymethyl)phenyl]methoxymethyl]oxirane
CID 139993716
(2S)-2-(thiophen-2-ylmethoxymethyl)pyrrolidine
CID 102820124
2-(ethoxymethyl)thiophene
CID 12699283
5-[[(2S)-oxiran-2-yl]methoxymethyl]-2-[[(2R)-oxiran-2-yl]methoxymethyl]furan
CID 134445113
2-[2-(thiophen-2-ylmethoxy)ethyl]-1,3-dioxane
CID 66474968
bis(benzene-1,4-diol);2-(oxiran-2-ylmethoxymethyl)oxirane
CID 158653156
2-[[4-[[4-[[4-(oxiran-2-ylmethoxymethyl)phenyl]methyl]phenyl]methyl]phenyl]methoxymethyl]oxirane
CID 146491565
N-[2-(thiophen-2-ylmethoxy)ethyl]cyclopropanamine
CID 62485246
2-[[2,3-bis(oxiran-2-ylmethoxymethyl)phenyl]methoxymethyl]oxirane;ethene
CID 159741748
2-(methoxymethyl)thiophene
CID 10240820
1,2-dibromobenzene;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87260520
2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienylmethoxymethyl)oxirane
CID 167171988

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(thiophen-2-ylmethoxymethyl)oxirane?
The IUPAC name of (2S)-2-(thiophen-2-ylmethoxymethyl)oxirane (CID 7127504) is (2S)-2-(thiophen-2-ylmethoxymethyl)oxirane.
What is the SMILES notation for (2S)-2-(thiophen-2-ylmethoxymethyl)oxirane?
The canonical SMILES for (2S)-2-(thiophen-2-ylmethoxymethyl)oxirane is c1csc(COC[C@@H]2CO2)c1.
What is the InChIKey of (2S)-2-(thiophen-2-ylmethoxymethyl)oxirane?
The InChIKey is HHAXOENJRXKJRX-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H10O2S/c1-2-8(11-3-1)6-9-4-7-5-10-7/h1-3,7H,4-6H2/t7-/m1/s1.
What are the key properties of (2S)-2-(thiophen-2-ylmethoxymethyl)oxirane?
(2S)-2-(thiophen-2-ylmethoxymethyl)oxirane has a molecular weight of 170.23 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(thiophen-2-ylmethoxymethyl)oxirane is sourced from PubChem (CID 7127504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).