thiophene;thiophene-2-carbonitrile

C9H7NS2 — CID 174388965

IUPACthiophene;thiophene-2-carbonitrile
SMILESN#Cc1cccs1.c1ccsc1
InChIInChI=1S/C5H3NS.C4H4S/c6-4-5-2-1-3-7-5;1-2-4-5-3-1/h1-3H;1-4H
InChIKeyIFCVBVVOIGIACZ-UHFFFAOYSA-N
MW193.30 g/mol
LogP3.37
Rot. Bonds

About thiophene;thiophene-2-carbonitrile

thiophene;thiophene-2-carbonitrile (PubChem CID 174388965) has the molecular formula C9H7NS2 and a molecular weight of 193.30 g/mol. Its IUPAC name is thiophene;thiophene-2-carbonitrile.

Molecular Properties

Compound Namethiophene;thiophene-2-carbonitrile
PubChem CID174388965
Molecular FormulaC9H7NS2
Molecular Weight193.30 g/mol
Exact Mass193.00
IUPAC Namethiophene;thiophene-2-carbonitrile
SMILESN#Cc1cccs1.c1ccsc1
InChIInChI=1S/C5H3NS.C4H4S/c6-4-5-2-1-3-7-5;1-2-4-5-3-1/h1-3H;1-4H
InChIKeyIFCVBVVOIGIACZ-UHFFFAOYSA-N
XLogP3.37
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.30
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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5-thiophen-2-ylthiophene-2-carbonitrile
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Frequently Asked Questions

What is the IUPAC name of thiophene;thiophene-2-carbonitrile?
The IUPAC name of thiophene;thiophene-2-carbonitrile (CID 174388965) is thiophene;thiophene-2-carbonitrile.
What is the SMILES notation for thiophene;thiophene-2-carbonitrile?
The canonical SMILES for thiophene;thiophene-2-carbonitrile is N#Cc1cccs1.c1ccsc1.
What is the InChIKey of thiophene;thiophene-2-carbonitrile?
The InChIKey is IFCVBVVOIGIACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3NS.C4H4S/c6-4-5-2-1-3-7-5;1-2-4-5-3-1/h1-3H;1-4H.
What are the key properties of thiophene;thiophene-2-carbonitrile?
thiophene;thiophene-2-carbonitrile has a molecular weight of 193.30 g/mol, XLogP of 3.37, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for thiophene;thiophene-2-carbonitrile is sourced from PubChem (CID 174388965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).