1-fluoro-5-methyl-3-methylsulfanyl-2-propan-2-ylbenzene

C11H15FS — CID 145398020

IUPAC1-fluoro-5-methyl-3-methylsulfanyl-2-propan-2-ylbenzene
SMILESCSc1cc(C)cc(F)c1C(C)C
InChIInChI=1S/C11H15FS/c1-7(2)11-9(12)5-8(3)6-10(11)13-4/h5-7H,1-4H3
InChIKeyTZUDPISISDVWCK-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.98
Rot. Bonds2

About 1-fluoro-5-methyl-3-methylsulfanyl-2-propan-2-ylbenzene

1-fluoro-5-methyl-3-methylsulfanyl-2-propan-2-ylbenzene (PubChem CID 145398020) has the molecular formula C11H15FS and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-fluoro-5-methyl-3-methylsulfanyl-2-propan-2-ylbenzene.

Molecular Properties

Compound Name1-fluoro-5-methyl-3-methylsulfanyl-2-propan-2-ylbenzene
PubChem CID145398020
Molecular FormulaC11H15FS
Molecular Weight198.31 g/mol
Exact Mass198.09
IUPAC Name1-fluoro-5-methyl-3-methylsulfanyl-2-propan-2-ylbenzene
SMILESCSc1cc(C)cc(F)c1C(C)C
InChIInChI=1S/C11H15FS/c1-7(2)11-9(12)5-8(3)6-10(11)13-4/h5-7H,1-4H3
InChIKeyTZUDPISISDVWCK-UHFFFAOYSA-N
XLogP3.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-difluoro-5-methylsulfanyl-2-propan-2-ylbenzene
CID 166718407
(2-fluoro-4,6-dimethylphenyl)-(4-propan-2-ylphenyl)methanamine
CID 106881261
1-(2,6-difluoro-4-methylphenyl)ethylhydrazine
CID 130856006
1-fluoro-2,5-dimethyl-3-propan-2-ylbenzene
CID 58029447
2-fluoro-1,5-dimethyl-3-methylsulfanylbenzene
CID 130850117
(2-fluoro-4,6-dimethylphenyl)-(2-methylsulfanylphenyl)methanol
CID 106884084
1-(2-fluoro-4,6-dimethylphenyl)-2-propan-2-ylsulfanylethanol
CID 106881058
1-chloro-3-methylsulfanyl-2-propan-2-yl-5-(trifluoromethyl)benzene
CID 166584199
2-(2-fluoro-4,6-dimethylphenyl)propanoic acid
CID 84773931
2,2-difluoro-1-(2-fluoro-4,6-dimethylphenyl)ethanamine
CID 106883395
CID 144806033
CID 144806033
2,4-dichloro-1,5-difluoro-3-propan-2-ylbenzene
CID 155380165

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-5-methyl-3-methylsulfanyl-2-propan-2-ylbenzene?
The IUPAC name of 1-fluoro-5-methyl-3-methylsulfanyl-2-propan-2-ylbenzene (CID 145398020) is 1-fluoro-5-methyl-3-methylsulfanyl-2-propan-2-ylbenzene.
What is the SMILES notation for 1-fluoro-5-methyl-3-methylsulfanyl-2-propan-2-ylbenzene?
The canonical SMILES for 1-fluoro-5-methyl-3-methylsulfanyl-2-propan-2-ylbenzene is CSc1cc(C)cc(F)c1C(C)C.
What is the InChIKey of 1-fluoro-5-methyl-3-methylsulfanyl-2-propan-2-ylbenzene?
The InChIKey is TZUDPISISDVWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FS/c1-7(2)11-9(12)5-8(3)6-10(11)13-4/h5-7H,1-4H3.
What are the key properties of 1-fluoro-5-methyl-3-methylsulfanyl-2-propan-2-ylbenzene?
1-fluoro-5-methyl-3-methylsulfanyl-2-propan-2-ylbenzene has a molecular weight of 198.31 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-5-methyl-3-methylsulfanyl-2-propan-2-ylbenzene is sourced from PubChem (CID 145398020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).