1-fluoro-3-prop-2-enylsulfanylbenzene

C9H9FS — CID 91656198

IUPAC1-fluoro-3-prop-2-enylsulfanylbenzene
SMILESC=CCSc1cccc(F)c1
InChIInChI=1S/C9H9FS/c1-2-6-11-9-5-3-4-8(10)7-9/h2-5,7H,1,6H2
InChIKeyWXORYGBPZIDPCR-UHFFFAOYSA-N
MW168.24 g/mol
LogP3.10
Rot. Bonds3

About 1-fluoro-3-prop-2-enylsulfanylbenzene

1-fluoro-3-prop-2-enylsulfanylbenzene (PubChem CID 91656198) has the molecular formula C9H9FS and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-fluoro-3-prop-2-enylsulfanylbenzene.

Molecular Properties

Compound Name1-fluoro-3-prop-2-enylsulfanylbenzene
PubChem CID91656198
Molecular FormulaC9H9FS
Molecular Weight168.24 g/mol
Exact Mass168.04
IUPAC Name1-fluoro-3-prop-2-enylsulfanylbenzene
SMILESC=CCSc1cccc(F)c1
InChIInChI=1S/C9H9FS/c1-2-6-11-9-5-3-4-8(10)7-9/h2-5,7H,1,6H2
InChIKeyWXORYGBPZIDPCR-UHFFFAOYSA-N
XLogP3.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-prop-2-enylsulfanylbenzonitrile
CID 101210262
1-fluoro-3-[(3-fluorophenyl)methylsulfanyl]benzene
CID 91656520
1-(3-fluorophenyl)sulfanylbut-3-en-2-ylhydrazine
CID 105236361
1-fluoro-2-methyl-4-prop-2-enylsulfanylbenzene
CID 91655286
3-(3-fluorophenyl)sulfanylpropan-1-amine
CID 70244905
N-[(3-fluorophenyl)methyl]-2-prop-2-enylsulfanylaniline
CID 60695888
1-chloro-4-[(3-fluorophenyl)sulfanylmethyl]benzene
CID 91657412
1,2-difluoro-4-[(3-fluorophenyl)sulfanylmethyl]benzene
CID 91657909
(2R)-1-(3-fluorophenyl)sulfanylpropan-2-amine
CID 104889284
1-(3-fluorophenyl)sulfanyl-N-methylnon-8-en-2-amine
CID 107009283
N-ethyl-1-(3-fluorophenyl)sulfanylhept-6-en-2-amine
CID 66070643
(3-fluorophenyl) thiohypobromite
CID 173469120

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-prop-2-enylsulfanylbenzene?
The IUPAC name of 1-fluoro-3-prop-2-enylsulfanylbenzene (CID 91656198) is 1-fluoro-3-prop-2-enylsulfanylbenzene.
What is the SMILES notation for 1-fluoro-3-prop-2-enylsulfanylbenzene?
The canonical SMILES for 1-fluoro-3-prop-2-enylsulfanylbenzene is C=CCSc1cccc(F)c1.
What is the InChIKey of 1-fluoro-3-prop-2-enylsulfanylbenzene?
The InChIKey is WXORYGBPZIDPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FS/c1-2-6-11-9-5-3-4-8(10)7-9/h2-5,7H,1,6H2.
What are the key properties of 1-fluoro-3-prop-2-enylsulfanylbenzene?
1-fluoro-3-prop-2-enylsulfanylbenzene has a molecular weight of 168.24 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-prop-2-enylsulfanylbenzene is sourced from PubChem (CID 91656198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).