6-fluoro-7-methylsulfanyl-1-benzothiophene-2-carbonitrile

C10H6FNS2 — CID 130885101

IUPAC6-fluoro-7-methylsulfanyl-1-benzothiophene-2-carbonitrile
SMILESCSc1c(F)ccc2cc(C#N)sc12
InChIInChI=1S/C10H6FNS2/c1-13-10-8(11)3-2-6-4-7(5-12)14-9(6)10/h2-4H,1H3
InChIKeyXPGKGYZWPWEOHS-UHFFFAOYSA-N
MW223.30 g/mol
LogP3.63
Rot. Bonds1

About 6-fluoro-7-methylsulfanyl-1-benzothiophene-2-carbonitrile

6-fluoro-7-methylsulfanyl-1-benzothiophene-2-carbonitrile (PubChem CID 130885101) has the molecular formula C10H6FNS2 and a molecular weight of 223.30 g/mol. Its IUPAC name is 6-fluoro-7-methylsulfanyl-1-benzothiophene-2-carbonitrile.

Molecular Properties

Compound Name6-fluoro-7-methylsulfanyl-1-benzothiophene-2-carbonitrile
PubChem CID130885101
Molecular FormulaC10H6FNS2
Molecular Weight223.30 g/mol
Exact Mass222.99
IUPAC Name6-fluoro-7-methylsulfanyl-1-benzothiophene-2-carbonitrile
SMILESCSc1c(F)ccc2cc(C#N)sc12
InChIInChI=1S/C10H6FNS2/c1-13-10-8(11)3-2-6-4-7(5-12)14-9(6)10/h2-4H,1H3
InChIKeyXPGKGYZWPWEOHS-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

7-fluoro-6-methyl-1-benzothiophene-2-carbonitrile
CID 131053554
2-chloro-7-methylsulfanyl-1-benzothiophene-6-carbonitrile
CID 130877269
6,7-dihydroxy-1-benzothiophene-2-carbonitrile
CID 131138269
7-amino-5-methylsulfanyl-1-benzothiophene-2-carbonitrile
CID 130866432
7-(hydroxymethyl)-6-methyl-1-benzothiophene-2-carbonitrile
CID 131030778
5-methyl-4-methylsulfanyl-1-benzothiophene-2-carbonitrile
CID 131033966
4-fluoro-6-methylsulfanyl-1-benzothiophene-2-carbonitrile
CID 130971782
6-amino-2-methylsulfanyl-1-benzothiophene-7-carbonitrile
CID 130883281
6-fluoro-2-methylsulfanyl-1-benzothiophene-7-thiol
CID 130898870
5-iodo-7-methyl-1-benzothiophene-2-carbonitrile
CID 131080419
6-fluoro-2-methylsulfanyl-1-benzothiophen-7-ol
CID 131219113
5-amino-7-methylsulfanyl-1-benzothiophene-6-carbonitrile
CID 130805364

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-methylsulfanyl-1-benzothiophene-2-carbonitrile?
The IUPAC name of 6-fluoro-7-methylsulfanyl-1-benzothiophene-2-carbonitrile (CID 130885101) is 6-fluoro-7-methylsulfanyl-1-benzothiophene-2-carbonitrile.
What is the SMILES notation for 6-fluoro-7-methylsulfanyl-1-benzothiophene-2-carbonitrile?
The canonical SMILES for 6-fluoro-7-methylsulfanyl-1-benzothiophene-2-carbonitrile is CSc1c(F)ccc2cc(C#N)sc12.
What is the InChIKey of 6-fluoro-7-methylsulfanyl-1-benzothiophene-2-carbonitrile?
The InChIKey is XPGKGYZWPWEOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FNS2/c1-13-10-8(11)3-2-6-4-7(5-12)14-9(6)10/h2-4H,1H3.
What are the key properties of 6-fluoro-7-methylsulfanyl-1-benzothiophene-2-carbonitrile?
6-fluoro-7-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 6-fluoro-7-methylsulfanyl-1-benzothiophene-2-carbonitrile is sourced from PubChem (CID 130885101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).