2-thiophen-2-yloxirane

C6H6OS — CID 10866336

IUPAC2-thiophen-2-yloxirane
SMILESc1csc(C2CO2)c1
InChIInChI=1S/C6H6OS/c1-2-6(8-3-1)5-4-7-5/h1-3,5H,4H2
InChIKeyKTRZJULHTZAXIS-UHFFFAOYSA-N
MW126.18 g/mol
LogP1.82
Rot. Bonds1

About 2-thiophen-2-yloxirane

2-thiophen-2-yloxirane (PubChem CID 10866336) has the molecular formula C6H6OS and a molecular weight of 126.18 g/mol. Its IUPAC name is 2-thiophen-2-yloxirane.

Molecular Properties

Compound Name2-thiophen-2-yloxirane
PubChem CID10866336
Molecular FormulaC6H6OS
Molecular Weight126.18 g/mol
Exact Mass126.01
IUPAC Name2-thiophen-2-yloxirane
SMILESc1csc(C2CO2)c1
InChIInChI=1S/C6H6OS/c1-2-6(8-3-1)5-4-7-5/h1-3,5H,4H2
InChIKeyKTRZJULHTZAXIS-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-Thiophenemethanol, alpha-ethenyl-
CID 11434996
(2R)-2-thiophen-2-yl-5-(trifluoromethyl)-2,3-dihydrofuran
CID 138979382
Thienylethanol acetate
CID 3023725
(2R)-2-thiophen-2-yloxolane
CID 93233838
2-(Methoxymethyl)thiophene
CID 10240820
(1R)-1-thiophen-2-ylprop-2-en-1-ol
CID 11240533
1-(2-Thienyl)allyl Acetate
CID 11286846
2-(1,1-Dimethoxyethyl)thiophene
CID 11446598
a-(2-Thienyl)tetrahydrofuran
CID 11768789
2-[(2-Methylpropan-2-yl)oxymethyl]thiophene
CID 11788536
2-(Ethoxymethyl)thiophene
CID 12699283
2-(Methoxymethyl)-5-methylthiophene
CID 15121011

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yloxirane?
The IUPAC name of 2-thiophen-2-yloxirane (CID 10866336) is 2-thiophen-2-yloxirane.
What is the SMILES notation for 2-thiophen-2-yloxirane?
The canonical SMILES for 2-thiophen-2-yloxirane is c1csc(C2CO2)c1.
What is the InChIKey of 2-thiophen-2-yloxirane?
The InChIKey is KTRZJULHTZAXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6OS/c1-2-6(8-3-1)5-4-7-5/h1-3,5H,4H2.
What are the key properties of 2-thiophen-2-yloxirane?
2-thiophen-2-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-2-yloxirane is sourced from PubChem (CID 10866336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).