1-chloro-2-methyl-3-methylsulfanyl-5-(trifluoromethyl)benzene;ethane

C11H14ClF3S — CID 142574142

IUPAC1-chloro-2-methyl-3-methylsulfanyl-5-(trifluoromethyl)benzene;ethane
SMILESCC.CSc1cc(C(F)(F)F)cc(Cl)c1C
InChIInChI=1S/C9H8ClF3S.C2H6/c1-5-7(10)3-6(9(11,12)13)4-8(5)14-2;1-2/h3-4H,1-2H3;1-2H3
InChIKeyPNZCFXGSDYUZMV-UHFFFAOYSA-N
MW270.75 g/mol
LogP5.42
Rot. Bonds1

About 1-chloro-2-methyl-3-methylsulfanyl-5-(trifluoromethyl)benzene;ethane

1-chloro-2-methyl-3-methylsulfanyl-5-(trifluoromethyl)benzene;ethane (PubChem CID 142574142) has the molecular formula C11H14ClF3S and a molecular weight of 270.75 g/mol. Its IUPAC name is 1-chloro-2-methyl-3-methylsulfanyl-5-(trifluoromethyl)benzene;ethane.

Molecular Properties

Compound Name1-chloro-2-methyl-3-methylsulfanyl-5-(trifluoromethyl)benzene;ethane
PubChem CID142574142
Molecular FormulaC11H14ClF3S
Molecular Weight270.75 g/mol
Exact Mass270.05
IUPAC Name1-chloro-2-methyl-3-methylsulfanyl-5-(trifluoromethyl)benzene;ethane
SMILESCC.CSc1cc(C(F)(F)F)cc(Cl)c1C
InChIInChI=1S/C9H8ClF3S.C2H6/c1-5-7(10)3-6(9(11,12)13)4-8(5)14-2;1-2/h3-4H,1-2H3;1-2H3
InChIKeyPNZCFXGSDYUZMV-UHFFFAOYSA-N
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.75
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloro-3-methylsulfanyl-2-propan-2-yl-5-(trifluoromethyl)benzene
CID 166584199
2-fluoro-1,3-bis(methylsulfanyl)-5-(trifluoromethyl)benzene
CID 164892485
1,3-dichloro-2-(difluoromethyl)-5-(trifluoromethyl)benzene
CID 171009487
1-iodo-3-methylsulfanyl-2,5-bis(trifluoromethyl)benzene
CID 119011325
1-chloro-4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-methylsulfanylbenzene
CID 20524737
2-methyl-6-methylsulfanyl-4-(trifluoromethyl)benzamide
CID 141180792
[3,5-bis(trifluoromethyl)phenyl] thiohypochlorite;ethane
CID 142034208
[2-fluoro-3-methylsulfanyl-5-(trifluoromethyl)phenyl]boronic acid
CID 164891219
[2,6-dichloro-4-(trifluoromethyl)phenyl]boranuide
CID 172878584
2-(3-chloro-5-fluoro-4-methylphenyl)propan-2-amine
CID 117290502
[2,6-dichloro-4-(trifluoromethyl)phenyl]-trimethylsilane
CID 11514753
1-bromo-2-methoxy-3-methylsulfanyl-5-(trifluoromethyl)benzene
CID 164895108

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-methyl-3-methylsulfanyl-5-(trifluoromethyl)benzene;ethane?
The IUPAC name of 1-chloro-2-methyl-3-methylsulfanyl-5-(trifluoromethyl)benzene;ethane (CID 142574142) is 1-chloro-2-methyl-3-methylsulfanyl-5-(trifluoromethyl)benzene;ethane.
What is the SMILES notation for 1-chloro-2-methyl-3-methylsulfanyl-5-(trifluoromethyl)benzene;ethane?
The canonical SMILES for 1-chloro-2-methyl-3-methylsulfanyl-5-(trifluoromethyl)benzene;ethane is CC.CSc1cc(C(F)(F)F)cc(Cl)c1C.
What is the InChIKey of 1-chloro-2-methyl-3-methylsulfanyl-5-(trifluoromethyl)benzene;ethane?
The InChIKey is PNZCFXGSDYUZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF3S.C2H6/c1-5-7(10)3-6(9(11,12)13)4-8(5)14-2;1-2/h3-4H,1-2H3;1-2H3.
What are the key properties of 1-chloro-2-methyl-3-methylsulfanyl-5-(trifluoromethyl)benzene;ethane?
1-chloro-2-methyl-3-methylsulfanyl-5-(trifluoromethyl)benzene;ethane has a molecular weight of 270.75 g/mol, XLogP of 5.42, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-methyl-3-methylsulfanyl-5-(trifluoromethyl)benzene;ethane is sourced from PubChem (CID 142574142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).