(3-thiophen-3-yloxiran-2-yl)methanol

C7H8O2S — CID 19879323

IUPAC(3-thiophen-3-yloxiran-2-yl)methanol
SMILESOCC1OC1c1ccsc1
InChIInChI=1S/C7H8O2S/c8-3-6-7(9-6)5-1-2-10-4-5/h1-2,4,6-8H,3H2
InChIKeyINGWFEPJVGYKLL-UHFFFAOYSA-N
MW156.21 g/mol
LogP1.18
Rot. Bonds2

About (3-thiophen-3-yloxiran-2-yl)methanol

(3-thiophen-3-yloxiran-2-yl)methanol (PubChem CID 19879323) has the molecular formula C7H8O2S and a molecular weight of 156.21 g/mol. Its IUPAC name is (3-thiophen-3-yloxiran-2-yl)methanol.

Molecular Properties

Compound Name(3-thiophen-3-yloxiran-2-yl)methanol
PubChem CID19879323
Molecular FormulaC7H8O2S
Molecular Weight156.21 g/mol
Exact Mass156.02
IUPAC Name(3-thiophen-3-yloxiran-2-yl)methanol
SMILESOCC1OC1c1ccsc1
InChIInChI=1S/C7H8O2S/c8-3-6-7(9-6)5-1-2-10-4-5/h1-2,4,6-8H,3H2
InChIKeyINGWFEPJVGYKLL-UHFFFAOYSA-N
XLogP1.18
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-thiophen-3-yloxiran-2-yl)methanol?
The IUPAC name of (3-thiophen-3-yloxiran-2-yl)methanol (CID 19879323) is (3-thiophen-3-yloxiran-2-yl)methanol.
What is the SMILES notation for (3-thiophen-3-yloxiran-2-yl)methanol?
The canonical SMILES for (3-thiophen-3-yloxiran-2-yl)methanol is OCC1OC1c1ccsc1.
What is the InChIKey of (3-thiophen-3-yloxiran-2-yl)methanol?
The InChIKey is INGWFEPJVGYKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2S/c8-3-6-7(9-6)5-1-2-10-4-5/h1-2,4,6-8H,3H2.
What are the key properties of (3-thiophen-3-yloxiran-2-yl)methanol?
(3-thiophen-3-yloxiran-2-yl)methanol has a molecular weight of 156.21 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-thiophen-3-yloxiran-2-yl)methanol is sourced from PubChem (CID 19879323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).