1-fluoro-4-methylsulfanyl-2-propan-2-ylbenzene

C10H13FS — CID 164811423

IUPAC1-fluoro-4-methylsulfanyl-2-propan-2-ylbenzene
SMILESCSc1ccc(F)c(C(C)C)c1
InChIInChI=1S/C10H13FS/c1-7(2)9-6-8(12-3)4-5-10(9)11/h4-7H,1-3H3
InChIKeyGGTUAPIJHHCYMG-UHFFFAOYSA-N
MW184.28 g/mol
LogP3.67
Rot. Bonds2

About 1-fluoro-4-methylsulfanyl-2-propan-2-ylbenzene

1-fluoro-4-methylsulfanyl-2-propan-2-ylbenzene (PubChem CID 164811423) has the molecular formula C10H13FS and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-fluoro-4-methylsulfanyl-2-propan-2-ylbenzene.

Molecular Properties

Compound Name1-fluoro-4-methylsulfanyl-2-propan-2-ylbenzene
PubChem CID164811423
Molecular FormulaC10H13FS
Molecular Weight184.28 g/mol
Exact Mass184.07
IUPAC Name1-fluoro-4-methylsulfanyl-2-propan-2-ylbenzene
SMILESCSc1ccc(F)c(C(C)C)c1
InChIInChI=1S/C10H13FS/c1-7(2)9-6-8(12-3)4-5-10(9)11/h4-7H,1-3H3
InChIKeyGGTUAPIJHHCYMG-UHFFFAOYSA-N
XLogP3.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-methylsulfanyl-2-propan-2-yl-1-propan-2-yloxybenzene
CID 171366460
4-fluoro-3-propan-2-ylaniline
CID 45090554
2-fluoro-1-methyl-4-methylsulfanylbenzene
CID 53414492
1,3-difluoro-5-methylsulfanyl-2-propan-2-ylbenzene
CID 166718407
2-bromo-1-fluoro-4-methylsulfanylbenzene
CID 83409864
2-fluoro-1-(2-fluoro-4-methylsulfanylphenyl)sulfanyl-4-methylsulfanylbenzene
CID 139623422
1-fluoro-4-phenyl-2-propan-2-ylbenzene
CID 134581183
1,3-difluoro-2-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene
CID 160709728
1-(4-fluoro-3-propan-2-ylphenyl)-N-methylmethanamine
CID 63887333
1,2-difluoro-4-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene
CID 169242567
4-(4-tert-butylphenyl)-1-fluoro-2-propan-2-ylbenzene
CID 165380601
4-fluoro-3-propan-2-ylbenzenesulfinic acid
CID 126565950

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-methylsulfanyl-2-propan-2-ylbenzene?
The IUPAC name of 1-fluoro-4-methylsulfanyl-2-propan-2-ylbenzene (CID 164811423) is 1-fluoro-4-methylsulfanyl-2-propan-2-ylbenzene.
What is the SMILES notation for 1-fluoro-4-methylsulfanyl-2-propan-2-ylbenzene?
The canonical SMILES for 1-fluoro-4-methylsulfanyl-2-propan-2-ylbenzene is CSc1ccc(F)c(C(C)C)c1.
What is the InChIKey of 1-fluoro-4-methylsulfanyl-2-propan-2-ylbenzene?
The InChIKey is GGTUAPIJHHCYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FS/c1-7(2)9-6-8(12-3)4-5-10(9)11/h4-7H,1-3H3.
What are the key properties of 1-fluoro-4-methylsulfanyl-2-propan-2-ylbenzene?
1-fluoro-4-methylsulfanyl-2-propan-2-ylbenzene has a molecular weight of 184.28 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-methylsulfanyl-2-propan-2-ylbenzene is sourced from PubChem (CID 164811423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).