4-fluoro-2-methyl-1-prop-1-en-2-ylsulfanylbenzene

C10H11FS — CID 146649535

IUPAC4-fluoro-2-methyl-1-prop-1-en-2-ylsulfanylbenzene
SMILESC=C(C)Sc1ccc(F)cc1C
InChIInChI=1S/C10H11FS/c1-7(2)12-10-5-4-9(11)6-8(10)3/h4-6H,1H2,2-3H3
InChIKeyHEASXQKKHPWBQO-UHFFFAOYSA-N
MW182.26 g/mol
LogP3.76
Rot. Bonds2

About 4-fluoro-2-methyl-1-prop-1-en-2-ylsulfanylbenzene

4-fluoro-2-methyl-1-prop-1-en-2-ylsulfanylbenzene (PubChem CID 146649535) has the molecular formula C10H11FS and a molecular weight of 182.26 g/mol. Its IUPAC name is 4-fluoro-2-methyl-1-prop-1-en-2-ylsulfanylbenzene.

Molecular Properties

Compound Name4-fluoro-2-methyl-1-prop-1-en-2-ylsulfanylbenzene
PubChem CID146649535
Molecular FormulaC10H11FS
Molecular Weight182.26 g/mol
Exact Mass182.06
IUPAC Name4-fluoro-2-methyl-1-prop-1-en-2-ylsulfanylbenzene
SMILESC=C(C)Sc1ccc(F)cc1C
InChIInChI=1S/C10H11FS/c1-7(2)12-10-5-4-9(11)6-8(10)3/h4-6H,1H2,2-3H3
InChIKeyHEASXQKKHPWBQO-UHFFFAOYSA-N
XLogP3.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-fluoro-2-methyl-1-methylsulfanylbenzene
CID 53414601
(4-fluoro-2-methylphenyl) propanedithioate
CID 129075399
4-fluoro-2-methyl-1-(1,2,2-trifluoroethylsulfanyl)benzene
CID 175022651
(4-fluoro-2-methylphenyl)sulfanylmethanamine
CID 117032403
4-methyl-2-prop-1-en-2-ylsulfanylaniline
CID 142274466
2-(4-fluoro-2-methylphenyl)sulfanylpropan-1-amine
CID 82505973
2-(4-fluoro-2-methylphenyl)sulfanylacetonitrile
CID 117033959
bis(4-fluoro-2-methylphenyl)methanol
CID 14371387
4-fluoro-2-methylphenol;zirconium
CID 174391374
1-(4-fluoro-2-methylphenyl)ethanone
CID 3494772
2-(4-fluoro-2-methylphenyl)sulfanyl-3-methylbutan-1-amine
CID 117035470
3-(4-fluoro-2-methylphenyl)sulfanylbutan-1-amine
CID 117032656

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-1-prop-1-en-2-ylsulfanylbenzene?
The IUPAC name of 4-fluoro-2-methyl-1-prop-1-en-2-ylsulfanylbenzene (CID 146649535) is 4-fluoro-2-methyl-1-prop-1-en-2-ylsulfanylbenzene.
What is the SMILES notation for 4-fluoro-2-methyl-1-prop-1-en-2-ylsulfanylbenzene?
The canonical SMILES for 4-fluoro-2-methyl-1-prop-1-en-2-ylsulfanylbenzene is C=C(C)Sc1ccc(F)cc1C.
What is the InChIKey of 4-fluoro-2-methyl-1-prop-1-en-2-ylsulfanylbenzene?
The InChIKey is HEASXQKKHPWBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FS/c1-7(2)12-10-5-4-9(11)6-8(10)3/h4-6H,1H2,2-3H3.
What are the key properties of 4-fluoro-2-methyl-1-prop-1-en-2-ylsulfanylbenzene?
4-fluoro-2-methyl-1-prop-1-en-2-ylsulfanylbenzene has a molecular weight of 182.26 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-1-prop-1-en-2-ylsulfanylbenzene is sourced from PubChem (CID 146649535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).