5-fluoro-2-(3-methylphenyl)sulfanylbenzonitrile

C14H10FNS — CID 63669230

IUPAC5-fluoro-2-(3-methylphenyl)sulfanylbenzonitrile
SMILESCc1cccc(Sc2ccc(F)cc2C#N)c1
InChIInChI=1S/C14H10FNS/c1-10-3-2-4-13(7-10)17-14-6-5-12(15)8-11(14)9-16/h2-8H,1H3
InChIKeyGLOQDYSNEUZSRM-UHFFFAOYSA-N
MW243.31 g/mol
LogP4.16
Rot. Bonds2

About 5-fluoro-2-(3-methylphenyl)sulfanylbenzonitrile

5-fluoro-2-(3-methylphenyl)sulfanylbenzonitrile (PubChem CID 63669230) has the molecular formula C14H10FNS and a molecular weight of 243.31 g/mol. Its IUPAC name is 5-fluoro-2-(3-methylphenyl)sulfanylbenzonitrile.

Molecular Properties

Compound Name5-fluoro-2-(3-methylphenyl)sulfanylbenzonitrile
PubChem CID63669230
Molecular FormulaC14H10FNS
Molecular Weight243.31 g/mol
Exact Mass243.05
IUPAC Name5-fluoro-2-(3-methylphenyl)sulfanylbenzonitrile
SMILESCc1cccc(Sc2ccc(F)cc2C#N)c1
InChIInChI=1S/C14H10FNS/c1-10-3-2-4-13(7-10)17-14-6-5-12(15)8-11(14)9-16/h2-8H,1H3
InChIKeyGLOQDYSNEUZSRM-UHFFFAOYSA-N
XLogP4.16
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenyl)sulfanyl-5-fluorobenzonitrile
CID 55233121
4-methyl-2-(3-methylphenyl)sulfanylbenzonitrile
CID 63538453
2-(2,5-dimethylphenyl)sulfanyl-5-fluorobenzonitrile
CID 55232916
2-(3-chlorophenyl)sulfanyl-5-methylbenzonitrile
CID 107930974
2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-5-fluorobenzonitrile
CID 102924863
1,2-bis[(3-methylphenyl)sulfanyl]benzene
CID 58715664
2-(3,4-dichlorophenyl)sulfanyl-5-methylbenzonitrile
CID 114017358
2-ethylsulfanyl-5-fluorobenzonitrile
CID 63667696
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-5-fluorobenzonitrile
CID 63668040
4-(2,5-difluorophenyl)sulfanyl-2-methylbenzonitrile
CID 81282783
2-(3-methylphenyl)sulfanylquinoline-4-carbonitrile
CID 63885867
1-fluoro-3-(3-methylphenyl)sulfanyl-2-nitrobenzene
CID 62688959

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(3-methylphenyl)sulfanylbenzonitrile?
The IUPAC name of 5-fluoro-2-(3-methylphenyl)sulfanylbenzonitrile (CID 63669230) is 5-fluoro-2-(3-methylphenyl)sulfanylbenzonitrile.
What is the SMILES notation for 5-fluoro-2-(3-methylphenyl)sulfanylbenzonitrile?
The canonical SMILES for 5-fluoro-2-(3-methylphenyl)sulfanylbenzonitrile is Cc1cccc(Sc2ccc(F)cc2C#N)c1.
What is the InChIKey of 5-fluoro-2-(3-methylphenyl)sulfanylbenzonitrile?
The InChIKey is GLOQDYSNEUZSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNS/c1-10-3-2-4-13(7-10)17-14-6-5-12(15)8-11(14)9-16/h2-8H,1H3.
What are the key properties of 5-fluoro-2-(3-methylphenyl)sulfanylbenzonitrile?
5-fluoro-2-(3-methylphenyl)sulfanylbenzonitrile has a molecular weight of 243.31 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(3-methylphenyl)sulfanylbenzonitrile is sourced from PubChem (CID 63669230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).