5-(4-sulfanylidene-1H-pyridin-2-yl)thiophene-2-carbonitrile

C10H6N2S2 — CID 106516111

IUPAC5-(4-sulfanylidene-1H-pyridin-2-yl)thiophene-2-carbonitrile
SMILESN#Cc1ccc(-c2cc(=S)cc[nH]2)s1
InChIInChI=1S/C10H6N2S2/c11-6-8-1-2-10(14-8)9-5-7(13)3-4-12-9/h1-5H,(H,12,13)
InChIKeyLXXJHKUGNGEVDE-UHFFFAOYSA-N
MW218.31 g/mol
LogP3.34
Rot. Bonds1

About 5-(4-sulfanylidene-1H-pyridin-2-yl)thiophene-2-carbonitrile

5-(4-sulfanylidene-1H-pyridin-2-yl)thiophene-2-carbonitrile (PubChem CID 106516111) has the molecular formula C10H6N2S2 and a molecular weight of 218.31 g/mol. Its IUPAC name is 5-(4-sulfanylidene-1H-pyridin-2-yl)thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-(4-sulfanylidene-1H-pyridin-2-yl)thiophene-2-carbonitrile
PubChem CID106516111
Molecular FormulaC10H6N2S2
Molecular Weight218.31 g/mol
Exact Mass218.00
IUPAC Name5-(4-sulfanylidene-1H-pyridin-2-yl)thiophene-2-carbonitrile
SMILESN#Cc1ccc(-c2cc(=S)cc[nH]2)s1
InChIInChI=1S/C10H6N2S2/c11-6-8-1-2-10(14-8)9-5-7(13)3-4-12-9/h1-5H,(H,12,13)
InChIKeyLXXJHKUGNGEVDE-UHFFFAOYSA-N
XLogP3.34
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.31
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

5-[5-(5-cyanothiophen-2-yl)thiophen-2-yl]thiophene-2-carbonitrile
CID 11500375
5-[4-sulfanylidene-2-(trifluoromethyl)-1H-pyrimidin-6-yl]thiophene-2-carbonitrile
CID 106776757
5-(2-phenyl-4-sulfanylidene-1H-pyrimidin-6-yl)thiophene-2-carbonitrile
CID 106516124
2-(1H-pyrrol-2-yl)-1H-pyridine-4-thione
CID 106523088
5-(6-oxo-1H-pyrazin-2-yl)thiophene-2-carbonitrile
CID 106516140
5-(5-cyanothiophen-3-yl)thiophene-2-carbonitrile
CID 171537965
5-thiophen-2-ylthiophene-2-carbonitrile
CID 2739839
5-[5-(dimethylamino)thiophen-2-yl]thiophene-2-carbonitrile
CID 10082783
2-(2,4,5-trifluorophenyl)-1H-pyridine-4-thione
CID 106520198
5-(3-bromo-4-methoxyphenyl)thiophene-2-carbonitrile
CID 82094398
5-(furan-2-yl)thiophene-2-carbonitrile
CID 57377058
2-(5-chlorothiophen-2-yl)-1H-pyridin-4-one
CID 106519910

Frequently Asked Questions

What is the IUPAC name of 5-(4-sulfanylidene-1H-pyridin-2-yl)thiophene-2-carbonitrile?
The IUPAC name of 5-(4-sulfanylidene-1H-pyridin-2-yl)thiophene-2-carbonitrile (CID 106516111) is 5-(4-sulfanylidene-1H-pyridin-2-yl)thiophene-2-carbonitrile.
What is the SMILES notation for 5-(4-sulfanylidene-1H-pyridin-2-yl)thiophene-2-carbonitrile?
The canonical SMILES for 5-(4-sulfanylidene-1H-pyridin-2-yl)thiophene-2-carbonitrile is N#Cc1ccc(-c2cc(=S)cc[nH]2)s1.
What is the InChIKey of 5-(4-sulfanylidene-1H-pyridin-2-yl)thiophene-2-carbonitrile?
The InChIKey is LXXJHKUGNGEVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2S2/c11-6-8-1-2-10(14-8)9-5-7(13)3-4-12-9/h1-5H,(H,12,13).
What are the key properties of 5-(4-sulfanylidene-1H-pyridin-2-yl)thiophene-2-carbonitrile?
5-(4-sulfanylidene-1H-pyridin-2-yl)thiophene-2-carbonitrile has a molecular weight of 218.31 g/mol, XLogP of 3.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-sulfanylidene-1H-pyridin-2-yl)thiophene-2-carbonitrile is sourced from PubChem (CID 106516111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).