ethane;thiophene-2-carbonitrile

C7H9NS — CID 143604797

IUPACethane;thiophene-2-carbonitrile
SMILESCC.N#Cc1cccs1
InChIInChI=1S/C5H3NS.C2H6/c6-4-5-2-1-3-7-5;1-2/h1-3H;1-2H3
InChIKeyDJVNBSVADGUDPY-UHFFFAOYSA-N
MW139.22 g/mol
LogP2.65
Rot. Bonds

About ethane;thiophene-2-carbonitrile

ethane;thiophene-2-carbonitrile (PubChem CID 143604797) has the molecular formula C7H9NS and a molecular weight of 139.22 g/mol. Its IUPAC name is ethane;thiophene-2-carbonitrile.

Molecular Properties

Compound Nameethane;thiophene-2-carbonitrile
PubChem CID143604797
Molecular FormulaC7H9NS
Molecular Weight139.22 g/mol
Exact Mass139.05
IUPAC Nameethane;thiophene-2-carbonitrile
SMILESCC.N#Cc1cccs1
InChIInChI=1S/C5H3NS.C2H6/c6-4-5-2-1-3-7-5;1-2/h1-3H;1-2H3
InChIKeyDJVNBSVADGUDPY-UHFFFAOYSA-N
XLogP2.65
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.22
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

thiophene;thiophene-2-carbonitrile
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thiophene-2-carbonitrile;1-thiophen-2-ylcyclopropan-1-amine
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N'-hydroxythiophene-2-carboximidamide;thiophene-2-carbonitrile
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5-thiophen-2-ylthiophene-2-carbonitrile
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chlorozinc(1+);2-ethynylthiophene
CID 14144481
2-prop-1-ynyl-5-(2-thiophen-2-ylethynyl)thiophene
CID 642329
2-[2-[methyl(2-thiophen-2-ylethynyl)phosphoryl]ethynyl]thiophene
CID 164687205
2-ethynylthiophene;thiophene
CID 175440846
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CID 90990568

Frequently Asked Questions

What is the IUPAC name of ethane;thiophene-2-carbonitrile?
The IUPAC name of ethane;thiophene-2-carbonitrile (CID 143604797) is ethane;thiophene-2-carbonitrile.
What is the SMILES notation for ethane;thiophene-2-carbonitrile?
The canonical SMILES for ethane;thiophene-2-carbonitrile is CC.N#Cc1cccs1.
What is the InChIKey of ethane;thiophene-2-carbonitrile?
The InChIKey is DJVNBSVADGUDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3NS.C2H6/c6-4-5-2-1-3-7-5;1-2/h1-3H;1-2H3.
What are the key properties of ethane;thiophene-2-carbonitrile?
ethane;thiophene-2-carbonitrile has a molecular weight of 139.22 g/mol, XLogP of 2.65, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;thiophene-2-carbonitrile is sourced from PubChem (CID 143604797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).