thieno[3,2-e][1]benzothiole-2-carbonitrile

C11H5NS2 — CID 102479264

IUPACthieno[3,2-e][1]benzothiole-2-carbonitrile
SMILESN#Cc1cc2c(ccc3sccc32)s1
InChIInChI=1S/C11H5NS2/c12-6-7-5-9-8-3-4-13-10(8)1-2-11(9)14-7/h1-5H
InChIKeyOCRONHQENVNKMX-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.99
Rot. Bonds

About thieno[3,2-e][1]benzothiole-2-carbonitrile

thieno[3,2-e][1]benzothiole-2-carbonitrile (PubChem CID 102479264) has the molecular formula C11H5NS2 and a molecular weight of 215.30 g/mol. Its IUPAC name is thieno[3,2-e][1]benzothiole-2-carbonitrile.

Molecular Properties

Compound Namethieno[3,2-e][1]benzothiole-2-carbonitrile
PubChem CID102479264
Molecular FormulaC11H5NS2
Molecular Weight215.30 g/mol
Exact Mass214.99
IUPAC Namethieno[3,2-e][1]benzothiole-2-carbonitrile
SMILESN#Cc1cc2c(ccc3sccc32)s1
InChIInChI=1S/C11H5NS2/c12-6-7-5-9-8-3-4-13-10(8)1-2-11(9)14-7/h1-5H
InChIKeyOCRONHQENVNKMX-UHFFFAOYSA-N
XLogP3.99
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-thieno[3,2-e][1]benzothiol-2-ylphenyl)thieno[3,2-e][1]benzothiole
CID 143769804
4,5-dihydroxy-1-benzothiophene-2-carbonitrile
CID 130785844
7-methyl-6,18-dithiahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaene
CID 58411635
4-bromo-1-benzothiophene-2-carbonitrile
CID 56773829
5-methyl-4-methylsulfanyl-1-benzothiophene-2-carbonitrile
CID 131033966
7-ethyl-6,18-dithiahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaene
CID 58411414
2-[(E)-2-thiophen-2-ylethenyl]thieno[3,2-e][1]benzothiole
CID 12964104
2-[(E)-1,2-diphenyl-2-thieno[3,2-e][1]benzothiol-2-ylethenyl]thieno[3,2-e][1]benzothiole
CID 101335692
5-prop-1-ynylthieno[3,2-b]thiophene
CID 135040771
4-ethyl-1-benzothiophene-5-carbonitrile
CID 130064613
4-iodothieno[2,3-c]pyridine-2-carbonitrile
CID 142031513
7-nonyl-6,18-dithiahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaene
CID 58410769

Frequently Asked Questions

What is the IUPAC name of thieno[3,2-e][1]benzothiole-2-carbonitrile?
The IUPAC name of thieno[3,2-e][1]benzothiole-2-carbonitrile (CID 102479264) is thieno[3,2-e][1]benzothiole-2-carbonitrile.
What is the SMILES notation for thieno[3,2-e][1]benzothiole-2-carbonitrile?
The canonical SMILES for thieno[3,2-e][1]benzothiole-2-carbonitrile is N#Cc1cc2c(ccc3sccc32)s1.
What is the InChIKey of thieno[3,2-e][1]benzothiole-2-carbonitrile?
The InChIKey is OCRONHQENVNKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5NS2/c12-6-7-5-9-8-3-4-13-10(8)1-2-11(9)14-7/h1-5H.
What are the key properties of thieno[3,2-e][1]benzothiole-2-carbonitrile?
thieno[3,2-e][1]benzothiole-2-carbonitrile has a molecular weight of 215.30 g/mol, XLogP of 3.99, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for thieno[3,2-e][1]benzothiole-2-carbonitrile is sourced from PubChem (CID 102479264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).