1,3-difluoro-5-methylsulfanyl-2-propan-2-ylbenzene

C10H12F2S — CID 166718407

IUPAC1,3-difluoro-5-methylsulfanyl-2-propan-2-ylbenzene
SMILESCSc1cc(F)c(C(C)C)c(F)c1
InChIInChI=1S/C10H12F2S/c1-6(2)10-8(11)4-7(13-3)5-9(10)12/h4-6H,1-3H3
InChIKeyLDYMTSDESUMWMQ-UHFFFAOYSA-N
MW202.27 g/mol
LogP3.81
Rot. Bonds2

About 1,3-difluoro-5-methylsulfanyl-2-propan-2-ylbenzene

1,3-difluoro-5-methylsulfanyl-2-propan-2-ylbenzene (PubChem CID 166718407) has the molecular formula C10H12F2S and a molecular weight of 202.27 g/mol. Its IUPAC name is 1,3-difluoro-5-methylsulfanyl-2-propan-2-ylbenzene.

Molecular Properties

Compound Name1,3-difluoro-5-methylsulfanyl-2-propan-2-ylbenzene
PubChem CID166718407
Molecular FormulaC10H12F2S
Molecular Weight202.27 g/mol
Exact Mass202.06
IUPAC Name1,3-difluoro-5-methylsulfanyl-2-propan-2-ylbenzene
SMILESCSc1cc(F)c(C(C)C)c(F)c1
InChIInChI=1S/C10H12F2S/c1-6(2)10-8(11)4-7(13-3)5-9(10)12/h4-6H,1-3H3
InChIKeyLDYMTSDESUMWMQ-UHFFFAOYSA-N
XLogP3.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.27
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-fluoro-5-methyl-3-methylsulfanyl-2-propan-2-ylbenzene
CID 145398020
1-fluoro-4-methylsulfanyl-2-propan-2-ylbenzene
CID 164811423
2-fluoro-1-methyl-4-methylsulfanylbenzene
CID 53414492
N-[1-(2,6-difluorophenyl)ethyl]-3-methylsulfanylaniline
CID 43191040
2-fluoro-1-(2-fluoro-4-methylsulfanylphenyl)sulfanyl-4-methylsulfanylbenzene
CID 139623422
1,3-difluoro-2-(3-methylbutoxy)-5-methylsulfanylbenzene
CID 91655653
5-(2-cyclopropylethyl)-1,3-difluoro-2-propan-2-ylbenzene
CID 167149931
N-[1-(2,6-difluorophenyl)ethyl]-4-methylsulfanylaniline
CID 43192263
2-fluoro-6-methyl-4-methylsulfanylphenol
CID 142559998
2,4-dichloro-1,5-difluoro-3-propan-2-ylbenzene
CID 155380165
1,3-difluoro-2-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene
CID 160709728
2,6-difluoro-4-methylsulfanylbenzenesulfinic acid
CID 70999940

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-5-methylsulfanyl-2-propan-2-ylbenzene?
The IUPAC name of 1,3-difluoro-5-methylsulfanyl-2-propan-2-ylbenzene (CID 166718407) is 1,3-difluoro-5-methylsulfanyl-2-propan-2-ylbenzene.
What is the SMILES notation for 1,3-difluoro-5-methylsulfanyl-2-propan-2-ylbenzene?
The canonical SMILES for 1,3-difluoro-5-methylsulfanyl-2-propan-2-ylbenzene is CSc1cc(F)c(C(C)C)c(F)c1.
What is the InChIKey of 1,3-difluoro-5-methylsulfanyl-2-propan-2-ylbenzene?
The InChIKey is LDYMTSDESUMWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2S/c1-6(2)10-8(11)4-7(13-3)5-9(10)12/h4-6H,1-3H3.
What are the key properties of 1,3-difluoro-5-methylsulfanyl-2-propan-2-ylbenzene?
1,3-difluoro-5-methylsulfanyl-2-propan-2-ylbenzene has a molecular weight of 202.27 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-5-methylsulfanyl-2-propan-2-ylbenzene is sourced from PubChem (CID 166718407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).