2-(4-fluorophenyl)sulfanylacetonitrile

C8H6FNS — CID 581375

IUPAC2-(4-fluorophenyl)sulfanylacetonitrile
SMILESN#CCSc1ccc(F)cc1
InChIInChI=1S/C8H6FNS/c9-7-1-3-8(4-2-7)11-6-5-10/h1-4H,6H2
InChIKeyBJFLSPRQCMQITC-UHFFFAOYSA-N
MW167.21 g/mol
LogP2.44
Rot. Bonds2

About 2-(4-fluorophenyl)sulfanylacetonitrile

2-(4-fluorophenyl)sulfanylacetonitrile (PubChem CID 581375) has the molecular formula C8H6FNS and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanylacetonitrile.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanylacetonitrile
PubChem CID581375
Molecular FormulaC8H6FNS
Molecular Weight167.21 g/mol
Exact Mass167.02
IUPAC Name2-(4-fluorophenyl)sulfanylacetonitrile
SMILESN#CCSc1ccc(F)cc1
InChIInChI=1S/C8H6FNS/c9-7-1-3-8(4-2-7)11-6-5-10/h1-4H,6H2
InChIKeyBJFLSPRQCMQITC-UHFFFAOYSA-N
XLogP2.44
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[(4-fluorophenyl)sulfanylmethyl]phenyl]acetonitrile
CID 19050172
2-(4-fluoro-2-methylphenyl)sulfanylacetonitrile
CID 117033959
potassium trifluoro-[(4-fluorophenyl)sulfanylmethyl]boranuide
CID 63702096
N-[3-(cyanomethylsulfanyl)phenyl]-4-fluorobenzamide
CID 19318372
1-ethylsulfanyl-4-fluorobenzene;methanol
CID 178124027
2-(3-chloro-4-hydroxyphenyl)sulfanylacetonitrile
CID 10130383
(4-fluorophenyl)sulfanyl selenocyanate
CID 162398186
4-[2-(4-fluorophenyl)sulfanylacetyl]benzonitrile
CID 43225044
2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfanyl]acetonitrile
CID 116853847
2-(6-fluoroquinolin-4-yl)sulfanylacetonitrile
CID 43840498
4-(4-fluorophenyl)sulfanyl-2-(propylamino)butanenitrile
CID 63055475
4-[2-(4-fluorophenyl)sulfanylethylsulfonyl]benzonitrile
CID 79591983

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanylacetonitrile?
The IUPAC name of 2-(4-fluorophenyl)sulfanylacetonitrile (CID 581375) is 2-(4-fluorophenyl)sulfanylacetonitrile.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanylacetonitrile?
The canonical SMILES for 2-(4-fluorophenyl)sulfanylacetonitrile is N#CCSc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanylacetonitrile?
The InChIKey is BJFLSPRQCMQITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FNS/c9-7-1-3-8(4-2-7)11-6-5-10/h1-4H,6H2.
What are the key properties of 2-(4-fluorophenyl)sulfanylacetonitrile?
2-(4-fluorophenyl)sulfanylacetonitrile has a molecular weight of 167.21 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanylacetonitrile is sourced from PubChem (CID 581375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).