2-(hydroxymethyl)thieno[2,3-b]thiophene-5-carbonitrile

C8H5NOS2 — CID 133062892

IUPAC2-(hydroxymethyl)thieno[2,3-b]thiophene-5-carbonitrile
SMILESN#Cc1cc2cc(CO)sc2s1
InChIInChI=1S/C8H5NOS2/c9-3-6-1-5-2-7(4-10)12-8(5)11-6/h1-2,10H,4H2
InChIKeyZYHJNCGWQZALQS-UHFFFAOYSA-N
MW195.27 g/mol
LogP2.33
Rot. Bonds1

About 2-(hydroxymethyl)thieno[2,3-b]thiophene-5-carbonitrile

2-(hydroxymethyl)thieno[2,3-b]thiophene-5-carbonitrile (PubChem CID 133062892) has the molecular formula C8H5NOS2 and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-(hydroxymethyl)thieno[2,3-b]thiophene-5-carbonitrile.

Molecular Properties

Compound Name2-(hydroxymethyl)thieno[2,3-b]thiophene-5-carbonitrile
PubChem CID133062892
Molecular FormulaC8H5NOS2
Molecular Weight195.27 g/mol
Exact Mass194.98
IUPAC Name2-(hydroxymethyl)thieno[2,3-b]thiophene-5-carbonitrile
SMILESN#Cc1cc2cc(CO)sc2s1
InChIInChI=1S/C8H5NOS2/c9-3-6-1-5-2-7(4-10)12-8(5)11-6/h1-2,10H,4H2
InChIKeyZYHJNCGWQZALQS-UHFFFAOYSA-N
XLogP2.33
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(hydroxymethyl)-6-sulfanyl-1-benzothiophene-5-carbonitrile
CID 130926407
4-(hydroxymethyl)-5-methylthiophene-2-carbonitrile
CID 89336705
7-(hydroxymethyl)-6-methyl-1-benzothiophene-2-carbonitrile
CID 131030778
5-(3-hydroxypropyl)thiophene-2-carbonitrile
CID 22393719
5-(bromomethyl)-6-hydroxy-1-benzothiophene-2-carbonitrile
CID 131096686
6,7-dihydroxy-1-benzothiophene-2-carbonitrile
CID 131138269
2-(hydroxymethyl)-4-sulfanyl-1-benzothiophene-6-carbonitrile
CID 131214285
4-hydroxy-2-(hydroxymethyl)-1-benzothiophene-7-carbonitrile
CID 130792551
5-(bromomethyl)-4-chlorothiophene-2-carbonitrile
CID 142647058
(5,7-dibromo-1-benzothiophen-2-yl)methanol
CID 130982936
7-amino-5-methylsulfanyl-1-benzothiophene-2-carbonitrile
CID 130866432
5-[(1S)-1-amino-2-hydroxyethyl]thiophene-2-carbonitrile
CID 130852480

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)thieno[2,3-b]thiophene-5-carbonitrile?
The IUPAC name of 2-(hydroxymethyl)thieno[2,3-b]thiophene-5-carbonitrile (CID 133062892) is 2-(hydroxymethyl)thieno[2,3-b]thiophene-5-carbonitrile.
What is the SMILES notation for 2-(hydroxymethyl)thieno[2,3-b]thiophene-5-carbonitrile?
The canonical SMILES for 2-(hydroxymethyl)thieno[2,3-b]thiophene-5-carbonitrile is N#Cc1cc2cc(CO)sc2s1.
What is the InChIKey of 2-(hydroxymethyl)thieno[2,3-b]thiophene-5-carbonitrile?
The InChIKey is ZYHJNCGWQZALQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NOS2/c9-3-6-1-5-2-7(4-10)12-8(5)11-6/h1-2,10H,4H2.
What are the key properties of 2-(hydroxymethyl)thieno[2,3-b]thiophene-5-carbonitrile?
2-(hydroxymethyl)thieno[2,3-b]thiophene-5-carbonitrile has a molecular weight of 195.27 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)thieno[2,3-b]thiophene-5-carbonitrile is sourced from PubChem (CID 133062892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).