2-methoxy-2-(3-methylthiophen-2-yl)acetonitrile

C8H9NOS — CID 66070706

IUPAC2-methoxy-2-(3-methylthiophen-2-yl)acetonitrile
SMILESCOC(C#N)c1sccc1C
InChIInChI=1S/C8H9NOS/c1-6-3-4-11-8(6)7(5-9)10-2/h3-4,7H,1-2H3
InChIKeyMJPKYMXBJHVNED-UHFFFAOYSA-N
MW167.23 g/mol
LogP2.27
Rot. Bonds2

About 2-methoxy-2-(3-methylthiophen-2-yl)acetonitrile

2-methoxy-2-(3-methylthiophen-2-yl)acetonitrile (PubChem CID 66070706) has the molecular formula C8H9NOS and a molecular weight of 167.23 g/mol. Its IUPAC name is 2-methoxy-2-(3-methylthiophen-2-yl)acetonitrile.

Molecular Properties

Compound Name2-methoxy-2-(3-methylthiophen-2-yl)acetonitrile
PubChem CID66070706
Molecular FormulaC8H9NOS
Molecular Weight167.23 g/mol
Exact Mass167.04
IUPAC Name2-methoxy-2-(3-methylthiophen-2-yl)acetonitrile
SMILESCOC(C#N)c1sccc1C
InChIInChI=1S/C8H9NOS/c1-6-3-4-11-8(6)7(5-9)10-2/h3-4,7H,1-2H3
InChIKeyMJPKYMXBJHVNED-UHFFFAOYSA-N
XLogP2.27
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methoxy-2-(3-methylthiophen-2-yl)acetonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-(3-methylthiophen-2-yl)acetonitrile?
The IUPAC name of 2-methoxy-2-(3-methylthiophen-2-yl)acetonitrile (CID 66070706) is 2-methoxy-2-(3-methylthiophen-2-yl)acetonitrile.
What is the SMILES notation for 2-methoxy-2-(3-methylthiophen-2-yl)acetonitrile?
The canonical SMILES for 2-methoxy-2-(3-methylthiophen-2-yl)acetonitrile is COC(C#N)c1sccc1C.
What is the InChIKey of 2-methoxy-2-(3-methylthiophen-2-yl)acetonitrile?
The InChIKey is MJPKYMXBJHVNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NOS/c1-6-3-4-11-8(6)7(5-9)10-2/h3-4,7H,1-2H3.
What are the key properties of 2-methoxy-2-(3-methylthiophen-2-yl)acetonitrile?
2-methoxy-2-(3-methylthiophen-2-yl)acetonitrile has a molecular weight of 167.23 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-(3-methylthiophen-2-yl)acetonitrile is sourced from PubChem (CID 66070706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).