2-thiophen-3-yloxirane

C6H6OS — CID 15198205

IUPAC2-thiophen-3-yloxirane
SMILESc1cc(C2CO2)cs1
InChIInChI=1S/C6H6OS/c1-2-8-4-5(1)6-3-7-6/h1-2,4,6H,3H2
InChIKeyRQPYFYYXGMUXSG-UHFFFAOYSA-N
MW126.18 g/mol
LogP1.82
Rot. Bonds1

About 2-thiophen-3-yloxirane

2-thiophen-3-yloxirane (PubChem CID 15198205) has the molecular formula C6H6OS and a molecular weight of 126.18 g/mol. Its IUPAC name is 2-thiophen-3-yloxirane.

Molecular Properties

Compound Name2-thiophen-3-yloxirane
PubChem CID15198205
Molecular FormulaC6H6OS
Molecular Weight126.18 g/mol
Exact Mass126.01
IUPAC Name2-thiophen-3-yloxirane
SMILESc1cc(C2CO2)cs1
InChIInChI=1S/C6H6OS/c1-2-8-4-5(1)6-3-7-6/h1-2,4,6H,3H2
InChIKeyRQPYFYYXGMUXSG-UHFFFAOYSA-N
XLogP1.82
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.18
LogP ≤ 51.82
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-Methoxy-2-(thiophen-3-yl)acetonitrile
CID 66070495
Thiophene, 2-oxiranyl-
CID 10866336
CID 58450346
CID 58450346
3-(2,2,2-Trifluoro-1-methoxyethyl)thiophene
CID 68215948
2-(4-Fluorothiophen-3-yl)oxirane
CID 88266685
(2R)-4,5-dimethyl-2-thiophen-3-yl-3,6-dihydro-2H-pyran
CID 134962287
(2R)-2-thiophen-3-yloxolane
CID 155933014
2-Methoxy-2-thiophen-3-ylethanol
CID 119092951
3-(1,1-Dimethoxyethyl)thiophene
CID 14551700
[(1R)-1-thiophen-3-ylethyl] acetate
CID 16110994
2,3-Di(thiophen-3-yl)oxirane
CID 19001393
(2RS,3SR)-2,3-Epoxy-3-(thiophen-3-yl)-propanol
CID 19879323

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-3-yloxirane?
The IUPAC name of 2-thiophen-3-yloxirane (CID 15198205) is 2-thiophen-3-yloxirane.
What is the SMILES notation for 2-thiophen-3-yloxirane?
The canonical SMILES for 2-thiophen-3-yloxirane is c1cc(C2CO2)cs1.
What is the InChIKey of 2-thiophen-3-yloxirane?
The InChIKey is RQPYFYYXGMUXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6OS/c1-2-8-4-5(1)6-3-7-6/h1-2,4,6H,3H2.
What are the key properties of 2-thiophen-3-yloxirane?
2-thiophen-3-yloxirane has a molecular weight of 126.18 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-3-yloxirane is sourced from PubChem (CID 15198205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).