4-fluoro-6-methylsulfanyl-1-benzothiophene-2-carbonitrile

C10H6FNS2 — CID 130971782

IUPAC4-fluoro-6-methylsulfanyl-1-benzothiophene-2-carbonitrile
SMILESCSc1cc(F)c2cc(C#N)sc2c1
InChIInChI=1S/C10H6FNS2/c1-13-6-3-9(11)8-2-7(5-12)14-10(8)4-6/h2-4H,1H3
InChIKeyOCNRKNWMJDGFPD-UHFFFAOYSA-N
MW223.30 g/mol
LogP3.63
Rot. Bonds1

About 4-fluoro-6-methylsulfanyl-1-benzothiophene-2-carbonitrile

4-fluoro-6-methylsulfanyl-1-benzothiophene-2-carbonitrile (PubChem CID 130971782) has the molecular formula C10H6FNS2 and a molecular weight of 223.30 g/mol. Its IUPAC name is 4-fluoro-6-methylsulfanyl-1-benzothiophene-2-carbonitrile.

Molecular Properties

Compound Name4-fluoro-6-methylsulfanyl-1-benzothiophene-2-carbonitrile
PubChem CID130971782
Molecular FormulaC10H6FNS2
Molecular Weight223.30 g/mol
Exact Mass222.99
IUPAC Name4-fluoro-6-methylsulfanyl-1-benzothiophene-2-carbonitrile
SMILESCSc1cc(F)c2cc(C#N)sc2c1
InChIInChI=1S/C10H6FNS2/c1-13-6-3-9(11)8-2-7(5-12)14-10(8)4-6/h2-4H,1H3
InChIKeyOCNRKNWMJDGFPD-UHFFFAOYSA-N
XLogP3.63
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-4-methylsulfanyl-1-benzothiophene-2-carbonitrile
CID 131033966
7-amino-5-methylsulfanyl-1-benzothiophene-2-carbonitrile
CID 130866432
6-fluoro-7-methylsulfanyl-1-benzothiophene-2-carbonitrile
CID 130885101
2,4-dibromo-6-methylsulfanyl-1-benzothiophene
CID 131191577
2-iodo-6-methylsulfanyl-1-benzothiophen-4-ol
CID 131014707
4-iodothieno[2,3-c]pyridine-2-carbonitrile
CID 142031513
4-bromo-1-benzothiophene-2-carbonitrile
CID 56773829
thieno[3,2-e][1]benzothiole-2-carbonitrile
CID 102479264
4,5-dihydroxy-1-benzothiophene-2-carbonitrile
CID 130785844
2,6-dimethyl-4-methylsulfanylbenzonitrile
CID 59208149
4-bromothieno[2,3-c]pyridine-2-carbonitrile
CID 53440033
2-hydroxy-5-methylsulfanyl-1-benzothiophene-3-carbonitrile
CID 130884457

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-methylsulfanyl-1-benzothiophene-2-carbonitrile?
The IUPAC name of 4-fluoro-6-methylsulfanyl-1-benzothiophene-2-carbonitrile (CID 130971782) is 4-fluoro-6-methylsulfanyl-1-benzothiophene-2-carbonitrile.
What is the SMILES notation for 4-fluoro-6-methylsulfanyl-1-benzothiophene-2-carbonitrile?
The canonical SMILES for 4-fluoro-6-methylsulfanyl-1-benzothiophene-2-carbonitrile is CSc1cc(F)c2cc(C#N)sc2c1.
What is the InChIKey of 4-fluoro-6-methylsulfanyl-1-benzothiophene-2-carbonitrile?
The InChIKey is OCNRKNWMJDGFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FNS2/c1-13-6-3-9(11)8-2-7(5-12)14-10(8)4-6/h2-4H,1H3.
What are the key properties of 4-fluoro-6-methylsulfanyl-1-benzothiophene-2-carbonitrile?
4-fluoro-6-methylsulfanyl-1-benzothiophene-2-carbonitrile has a molecular weight of 223.30 g/mol, XLogP of 3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-methylsulfanyl-1-benzothiophene-2-carbonitrile is sourced from PubChem (CID 130971782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).