2-methoxy-2-thiophen-3-ylacetonitrile

C7H7NOS — CID 66070495

IUPAC2-methoxy-2-thiophen-3-ylacetonitrile
SMILESCOC(C#N)c1ccsc1
InChIInChI=1S/C7H7NOS/c1-9-7(4-8)6-2-3-10-5-6/h2-3,5,7H,1H3
InChIKeyFHUVIDQCGRLAEA-UHFFFAOYSA-N
MW153.21 g/mol
LogP1.96
Rot. Bonds2

About 2-methoxy-2-thiophen-3-ylacetonitrile

2-methoxy-2-thiophen-3-ylacetonitrile (PubChem CID 66070495) has the molecular formula C7H7NOS and a molecular weight of 153.21 g/mol. Its IUPAC name is 2-methoxy-2-thiophen-3-ylacetonitrile.

Molecular Properties

Compound Name2-methoxy-2-thiophen-3-ylacetonitrile
PubChem CID66070495
Molecular FormulaC7H7NOS
Molecular Weight153.21 g/mol
Exact Mass153.02
IUPAC Name2-methoxy-2-thiophen-3-ylacetonitrile
SMILESCOC(C#N)c1ccsc1
InChIInChI=1S/C7H7NOS/c1-9-7(4-8)6-2-3-10-5-6/h2-3,5,7H,1H3
InChIKeyFHUVIDQCGRLAEA-UHFFFAOYSA-N
XLogP1.96
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.21
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-hydroxy-2-(thiophen-3-yl)acetonitrile
CID 11105436
3-Hydroxy-3-(thiophen-3-yl)propanenitrile
CID 10261282
Hydroxy-thiophen-3-yl-acetonitrile
CID 13854064
(2R)-2-hydroxy-2-thiophen-3-ylacetonitrile
CID 55264988
CID 58450346
CID 58450346
3-(2,2,2-Trifluoro-1-methoxyethyl)thiophene
CID 68215948
2-Methoxy-2-thiophen-2-ylacetonitrile
CID 66072350
(3S)-3-hydroxy-3-thiophen-3-ylpropanenitrile
CID 9989433
Thiophen-3-yl-trimethylsilanyloxy-acetonitrile
CID 12962619
2-(Thiophen-3-yl)oxirane
CID 15198205
3-(1-Butoxyethyl)thiophene
CID 70437700
3-[(1R)-1-methoxyethyl]thiophene
CID 90264522

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-thiophen-3-ylacetonitrile?
The IUPAC name of 2-methoxy-2-thiophen-3-ylacetonitrile (CID 66070495) is 2-methoxy-2-thiophen-3-ylacetonitrile.
What is the SMILES notation for 2-methoxy-2-thiophen-3-ylacetonitrile?
The canonical SMILES for 2-methoxy-2-thiophen-3-ylacetonitrile is COC(C#N)c1ccsc1.
What is the InChIKey of 2-methoxy-2-thiophen-3-ylacetonitrile?
The InChIKey is FHUVIDQCGRLAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NOS/c1-9-7(4-8)6-2-3-10-5-6/h2-3,5,7H,1H3.
What are the key properties of 2-methoxy-2-thiophen-3-ylacetonitrile?
2-methoxy-2-thiophen-3-ylacetonitrile has a molecular weight of 153.21 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-thiophen-3-ylacetonitrile is sourced from PubChem (CID 66070495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).