5H-thieno[3,2-b]pyran-2-carbonitrile

C8H5NOS — CID 19979387

IUPAC5H-thieno[3,2-b]pyran-2-carbonitrile
SMILESN#Cc1cc2c(s1)C=CCO2
InChIInChI=1S/C8H5NOS/c9-5-6-4-7-8(11-6)2-1-3-10-7/h1-2,4H,3H2
InChIKeyKZHYHXXAHBVRHW-UHFFFAOYSA-N
MW163.20 g/mol
LogP2.03
Rot. Bonds

About 5H-thieno[3,2-b]pyran-2-carbonitrile

5H-thieno[3,2-b]pyran-2-carbonitrile (PubChem CID 19979387) has the molecular formula C8H5NOS and a molecular weight of 163.20 g/mol. Its IUPAC name is 5H-thieno[3,2-b]pyran-2-carbonitrile.

Molecular Properties

Compound Name5H-thieno[3,2-b]pyran-2-carbonitrile
PubChem CID19979387
Molecular FormulaC8H5NOS
Molecular Weight163.20 g/mol
Exact Mass163.01
IUPAC Name5H-thieno[3,2-b]pyran-2-carbonitrile
SMILESN#Cc1cc2c(s1)C=CCO2
InChIInChI=1S/C8H5NOS/c9-5-6-4-7-8(11-6)2-1-3-10-7/h1-2,4H,3H2
InChIKeyKZHYHXXAHBVRHW-UHFFFAOYSA-N
XLogP2.03
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.20
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5H-thieno[3,2-b]pyran-2-carbonitrile?
The IUPAC name of 5H-thieno[3,2-b]pyran-2-carbonitrile (CID 19979387) is 5H-thieno[3,2-b]pyran-2-carbonitrile.
What is the SMILES notation for 5H-thieno[3,2-b]pyran-2-carbonitrile?
The canonical SMILES for 5H-thieno[3,2-b]pyran-2-carbonitrile is N#Cc1cc2c(s1)C=CCO2.
What is the InChIKey of 5H-thieno[3,2-b]pyran-2-carbonitrile?
The InChIKey is KZHYHXXAHBVRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NOS/c9-5-6-4-7-8(11-6)2-1-3-10-7/h1-2,4H,3H2.
What are the key properties of 5H-thieno[3,2-b]pyran-2-carbonitrile?
5H-thieno[3,2-b]pyran-2-carbonitrile has a molecular weight of 163.20 g/mol, XLogP of 2.03, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-thieno[3,2-b]pyran-2-carbonitrile is sourced from PubChem (CID 19979387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).