[5-(5-cyanothiophen-2-yl)thiophen-2-yl] formate

C10H5NO2S2 — CID 141042173

IUPAC[5-(5-cyanothiophen-2-yl)thiophen-2-yl] formate
SMILESN#Cc1ccc(-c2ccc(OC=O)s2)s1
InChIInChI=1S/C10H5NO2S2/c11-5-7-1-2-8(14-7)9-3-4-10(15-9)13-6-12/h1-4,6H
InChIKeyFTFKDMRKHNSHMO-UHFFFAOYSA-N
MW235.29 g/mol
LogP2.88
Rot. Bonds3

About [5-(5-cyanothiophen-2-yl)thiophen-2-yl] formate

[5-(5-cyanothiophen-2-yl)thiophen-2-yl] formate (PubChem CID 141042173) has the molecular formula C10H5NO2S2 and a molecular weight of 235.29 g/mol. Its IUPAC name is [5-(5-cyanothiophen-2-yl)thiophen-2-yl] formate.

Molecular Properties

Compound Name[5-(5-cyanothiophen-2-yl)thiophen-2-yl] formate
PubChem CID141042173
Molecular FormulaC10H5NO2S2
Molecular Weight235.29 g/mol
Exact Mass234.98
IUPAC Name[5-(5-cyanothiophen-2-yl)thiophen-2-yl] formate
SMILESN#Cc1ccc(-c2ccc(OC=O)s2)s1
InChIInChI=1S/C10H5NO2S2/c11-5-7-1-2-8(14-7)9-3-4-10(15-9)13-6-12/h1-4,6H
InChIKeyFTFKDMRKHNSHMO-UHFFFAOYSA-N
XLogP2.88
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-(5-cyanothiophen-2-yl)thiophen-2-yl] formate?
The IUPAC name of [5-(5-cyanothiophen-2-yl)thiophen-2-yl] formate (CID 141042173) is [5-(5-cyanothiophen-2-yl)thiophen-2-yl] formate.
What is the SMILES notation for [5-(5-cyanothiophen-2-yl)thiophen-2-yl] formate?
The canonical SMILES for [5-(5-cyanothiophen-2-yl)thiophen-2-yl] formate is N#Cc1ccc(-c2ccc(OC=O)s2)s1.
What is the InChIKey of [5-(5-cyanothiophen-2-yl)thiophen-2-yl] formate?
The InChIKey is FTFKDMRKHNSHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5NO2S2/c11-5-7-1-2-8(14-7)9-3-4-10(15-9)13-6-12/h1-4,6H.
What are the key properties of [5-(5-cyanothiophen-2-yl)thiophen-2-yl] formate?
[5-(5-cyanothiophen-2-yl)thiophen-2-yl] formate has a molecular weight of 235.29 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-cyanothiophen-2-yl)thiophen-2-yl] formate is sourced from PubChem (CID 141042173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).