1-(1-fluoroethenylsulfinyl)-4-methylbenzene

C9H9FOS — CID 643270

IUPAC1-(1-fluoroethenylsulfinyl)-4-methylbenzene
SMILESC=C(F)S(=O)c1ccc(C)cc1
InChIInChI=1S/C9H9FOS/c1-7-3-5-9(6-4-7)12(11)8(2)10/h3-6H,2H2,1H3
InChIKeySABYMAYOBFBJKC-UHFFFAOYSA-N
MW184.23 g/mol
LogP2.54
Rot. Bonds2

About 1-(1-fluoroethenylsulfinyl)-4-methylbenzene

1-(1-fluoroethenylsulfinyl)-4-methylbenzene (PubChem CID 643270) has the molecular formula C9H9FOS and a molecular weight of 184.23 g/mol. Its IUPAC name is 1-(1-fluoroethenylsulfinyl)-4-methylbenzene.

Molecular Properties

Compound Name1-(1-fluoroethenylsulfinyl)-4-methylbenzene
PubChem CID643270
Molecular FormulaC9H9FOS
Molecular Weight184.23 g/mol
Exact Mass184.04
IUPAC Name1-(1-fluoroethenylsulfinyl)-4-methylbenzene
SMILESC=C(F)S(=O)c1ccc(C)cc1
InChIInChI=1S/C9H9FOS/c1-7-3-5-9(6-4-7)12(11)8(2)10/h3-6H,2H2,1H3
InChIKeySABYMAYOBFBJKC-UHFFFAOYSA-N
XLogP2.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-4-[(E)-1,3,3,3-tetrafluoro-2-methylprop-1-enyl]sulfinylbenzene
CID 139250759
1-[(S)-[(Z)-1-fluoropent-1-enyl]sulfinyl]-4-methylbenzene
CID 10561226
1-[(S)-[(E)-1-fluoropent-1-enyl]sulfinyl]-4-methylbenzene
CID 10585341
4-methylbenzenesulfinic acid;tetrahydrate
CID 155656454
1-[(1Z)-1-chloro-2-methylbuta-1,3-dienyl]sulfinyl-4-methylbenzene
CID 101380718
ethane;1-methyl-4-(4-methylphenyl)sulfinylbenzene
CID 91610736
1-[(R)-[(E)-1-fluoro-2-(4-phenylphenyl)ethenyl]sulfinyl]-4-methylbenzene
CID 11914677
difluoromethylidene-fluoro-(4-methylphenyl)-lambda4-sulfane
CID 18717599
(R)-4-methylbenzenesulfinyl chloride
CID 98048897
1-(difluoromethylsulfinyl)-4-methylbenzene
CID 586872
1-[(S)-ethenylsulfinyl]-4-methylbenzene
CID 10487263
1-[chloro-(4-methylidenecyclohexylidene)methyl]sulfinyl-4-methylbenzene
CID 11196761

Frequently Asked Questions

What is the IUPAC name of 1-(1-fluoroethenylsulfinyl)-4-methylbenzene?
The IUPAC name of 1-(1-fluoroethenylsulfinyl)-4-methylbenzene (CID 643270) is 1-(1-fluoroethenylsulfinyl)-4-methylbenzene.
What is the SMILES notation for 1-(1-fluoroethenylsulfinyl)-4-methylbenzene?
The canonical SMILES for 1-(1-fluoroethenylsulfinyl)-4-methylbenzene is C=C(F)S(=O)c1ccc(C)cc1.
What is the InChIKey of 1-(1-fluoroethenylsulfinyl)-4-methylbenzene?
The InChIKey is SABYMAYOBFBJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FOS/c1-7-3-5-9(6-4-7)12(11)8(2)10/h3-6H,2H2,1H3.
What are the key properties of 1-(1-fluoroethenylsulfinyl)-4-methylbenzene?
1-(1-fluoroethenylsulfinyl)-4-methylbenzene has a molecular weight of 184.23 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-fluoroethenylsulfinyl)-4-methylbenzene is sourced from PubChem (CID 643270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).