3-thiophen-2-yloxirane-2-carbonitrile

C7H5NOS — CID 130405464

IUPAC3-thiophen-2-yloxirane-2-carbonitrile
SMILESN#CC1OC1c1cccs1
InChIInChI=1S/C7H5NOS/c8-4-5-7(9-5)6-2-1-3-10-6/h1-3,5,7H
InChIKeyCDJYZGYRVFTQCN-UHFFFAOYSA-N
MW151.19 g/mol
LogP1.71
Rot. Bonds1

About 3-thiophen-2-yloxirane-2-carbonitrile

3-thiophen-2-yloxirane-2-carbonitrile (PubChem CID 130405464) has the molecular formula C7H5NOS and a molecular weight of 151.19 g/mol. Its IUPAC name is 3-thiophen-2-yloxirane-2-carbonitrile.

Molecular Properties

Compound Name3-thiophen-2-yloxirane-2-carbonitrile
PubChem CID130405464
Molecular FormulaC7H5NOS
Molecular Weight151.19 g/mol
Exact Mass151.01
IUPAC Name3-thiophen-2-yloxirane-2-carbonitrile
SMILESN#CC1OC1c1cccs1
InChIInChI=1S/C7H5NOS/c8-4-5-7(9-5)6-2-1-3-10-6/h1-3,5,7H
InChIKeyCDJYZGYRVFTQCN-UHFFFAOYSA-N
XLogP1.71
TPSA36.32 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.19
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-thiophen-2-yloxirane-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,2R,3R,4R)-3,4-dithiophen-2-ylcyclobutane-1,2-dicarbonitrile
CID 102094708
2-oxo-5-thiophen-2-yloxolane-3-carbonitrile
CID 82125687
(4S,5R)-3-methylidene-4,5-dithiophen-2-yloxolan-2-one
CID 101204695
(2R,3R)-3-(4-bromophenyl)oxirane-2-carbonitrile
CID 102332905
2-(6-thiophen-2-yloxan-2-yl)acetonitrile
CID 130585687
(2S,3R)-2-benzyl-3-thiophen-2-yloxirane
CID 134996090
sodium 3-thiophen-2-yloxirane-2-carboxylate
CID 23697235
[(2S,4R,5R)-4-(benzenesulfonyl)-5-thiophen-2-yloxolan-2-yl]methanol
CID 11393172
(2S)-2-thiophen-2-ylaziridine
CID 55263035
2-thiophen-2-yloxan-3-amine
CID 79365694
(4S)-2-amino-4-thiophen-2-yl-4H-[1]benzothiolo[3,2-b]pyran-3-carbonitrile
CID 876921
(1'S,5'R,6'S)-2'-amino-6'-thiophen-2-ylspiro[1,3-dioxolane-2,4'-3-azoniabicyclo[3.1.0]hex-2-ene]-1',5'-dicarbonitrile
CID 8608317

Frequently Asked Questions

What is the IUPAC name of 3-thiophen-2-yloxirane-2-carbonitrile?
The IUPAC name of 3-thiophen-2-yloxirane-2-carbonitrile (CID 130405464) is 3-thiophen-2-yloxirane-2-carbonitrile.
What is the SMILES notation for 3-thiophen-2-yloxirane-2-carbonitrile?
The canonical SMILES for 3-thiophen-2-yloxirane-2-carbonitrile is N#CC1OC1c1cccs1.
What is the InChIKey of 3-thiophen-2-yloxirane-2-carbonitrile?
The InChIKey is CDJYZGYRVFTQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NOS/c8-4-5-7(9-5)6-2-1-3-10-6/h1-3,5,7H.
What are the key properties of 3-thiophen-2-yloxirane-2-carbonitrile?
3-thiophen-2-yloxirane-2-carbonitrile has a molecular weight of 151.19 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-2-yloxirane-2-carbonitrile is sourced from PubChem (CID 130405464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).