1-ethylsulfanyl-2-propan-2-ylbenzene;3-ethylsulfanyl-2-propan-2-ylpyridine;2-ethylsulfanyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-ethylsulfinyl-2-propan-2-ylbenzene;2-ethylsulfinyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-ethylsulfonyl-2-propan-2-ylbenzene;2-ethylsulfonyl-1-propan-2-yl-4-(trifluoromethyl)benzene

C79H108F9NO6S7 — CID 159749006

IUPAC1-ethylsulfanyl-2-propan-2-ylbenzene;3-ethylsulfanyl-2-propan-2-ylpyridine;2-ethylsulfanyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-ethylsulfinyl-2-propan-2-ylbenzene;2-ethylsulfinyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-ethylsulfonyl-2-propan-2-ylbenzene;2-ethylsulfonyl-1-propan-2-yl-4-(trifluoromethyl)benzene
SMILESCCS(=O)(=O)c1cc(C(F)(F)F)ccc1C(C)C.CCS(=O)(=O)c1ccccc1C(C)C.CCS(=O)c1cc(C(F)(F)F)ccc1C(C)C.CCS(=O)c1ccccc1C(C)C.CCSc1cc(C(F)(F)F)ccc1C(C)C.CCSc1ccccc1C(C)C.CCSc1cccnc1C(C)C
InChIInChI=1S/C12H15F3O2S.C12H15F3OS.C12H15F3S.C11H16O2S.C11H16OS.C11H16S.C10H15NS/c1-4-18(16,17)11-7-9(12(13,14)15)5-6-10(11)8(2)3;1-4-17(16)11-7-9(12(13,14)15)5-6-10(11)8(2)3;1-4-16-11-7-9(12(13,14)15)5-6-10(11)8(2)3;1-4-14(12,13)11-8-6-5-7-10(11)9(2)3;1-4-13(12)11-8-6-5-7-10(11)9(2)3;1-4-12-11-8-6-5-7-10(11)9(2)3;1-4-12-9-6-5-7-11-10(9)8(2)3/h5-8H,4H2,1-3H3;5-8H,4H2,1-3H3;5-8H,4H2,1-3H3;5-9H,4H2,1-3H3;5-9H,4H2,1-3H3;5-9H,4H2,1-3H3;5-8H,4H2,1-3H3
InChIKeyNDKJXJMPKOQMIE-UHFFFAOYSA-N
MW1563.18 g/mol
LogP25.30
Rot. Bonds21

About 1-ethylsulfanyl-2-propan-2-ylbenzene;3-ethylsulfanyl-2-propan-2-ylpyridine;2-ethylsulfanyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-ethylsulfinyl-2-propan-2-ylbenzene;2-ethylsulfinyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-ethylsulfonyl-2-propan-2-ylbenzene;2-ethylsulfonyl-1-propan-2-yl-4-(trifluoromethyl)benzene

1-ethylsulfanyl-2-propan-2-ylbenzene;3-ethylsulfanyl-2-propan-2-ylpyridine;2-ethylsulfanyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-ethylsulfinyl-2-propan-2-ylbenzene;2-ethylsulfinyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-ethylsulfonyl-2-propan-2-ylbenzene;2-ethylsulfonyl-1-propan-2-yl-4-(trifluoromethyl)benzene (PubChem CID 159749006) has the molecular formula C79H108F9NO6S7 and a molecular weight of 1563.18 g/mol. Its IUPAC name is 1-ethylsulfanyl-2-propan-2-ylbenzene;3-ethylsulfanyl-2-propan-2-ylpyridine;2-ethylsulfanyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-ethylsulfinyl-2-propan-2-ylbenzene;2-ethylsulfinyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-ethylsulfonyl-2-propan-2-ylbenzene;2-ethylsulfonyl-1-propan-2-yl-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-ethylsulfanyl-2-propan-2-ylbenzene;3-ethylsulfanyl-2-propan-2-ylpyridine;2-ethylsulfanyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-ethylsulfinyl-2-propan-2-ylbenzene;2-ethylsulfinyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-ethylsulfonyl-2-propan-2-ylbenzene;2-ethylsulfonyl-1-propan-2-yl-4-(trifluoromethyl)benzene
PubChem CID159749006
Molecular FormulaC79H108F9NO6S7
Molecular Weight1563.18 g/mol
Exact Mass1561.61
IUPAC Name1-ethylsulfanyl-2-propan-2-ylbenzene;3-ethylsulfanyl-2-propan-2-ylpyridine;2-ethylsulfanyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-ethylsulfinyl-2-propan-2-ylbenzene;2-ethylsulfinyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-ethylsulfonyl-2-propan-2-ylbenzene;2-ethylsulfonyl-1-propan-2-yl-4-(trifluoromethyl)benzene
SMILESCCS(=O)(=O)c1cc(C(F)(F)F)ccc1C(C)C.CCS(=O)(=O)c1ccccc1C(C)C.CCS(=O)c1cc(C(F)(F)F)ccc1C(C)C.CCS(=O)c1ccccc1C(C)C.CCSc1cc(C(F)(F)F)ccc1C(C)C.CCSc1ccccc1C(C)C.CCSc1cccnc1C(C)C
InChIInChI=1S/C12H15F3O2S.C12H15F3OS.C12H15F3S.C11H16O2S.C11H16OS.C11H16S.C10H15NS/c1-4-18(16,17)11-7-9(12(13,14)15)5-6-10(11)8(2)3;1-4-17(16)11-7-9(12(13,14)15)5-6-10(11)8(2)3;1-4-16-11-7-9(12(13,14)15)5-6-10(11)8(2)3;1-4-14(12,13)11-8-6-5-7-10(11)9(2)3;1-4-13(12)11-8-6-5-7-10(11)9(2)3;1-4-12-11-8-6-5-7-10(11)9(2)3;1-4-12-9-6-5-7-11-10(9)8(2)3/h5-8H,4H2,1-3H3;5-8H,4H2,1-3H3;5-8H,4H2,1-3H3;5-9H,4H2,1-3H3;5-9H,4H2,1-3H3;5-9H,4H2,1-3H3;5-8H,4H2,1-3H3
InChIKeyNDKJXJMPKOQMIE-UHFFFAOYSA-N
XLogP25.30
TPSA115.31 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds21
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001563.18
LogP ≤ 525.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 1-ethylsulfanyl-2-propan-2-ylbenzene;3-ethylsulfanyl-2-propan-2-ylpyridine;2-ethylsulfanyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-ethylsulfinyl-2-propan-2-ylbenzene;2-ethylsulfinyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-ethylsulfonyl-2-propan-2-ylbenzene;2-ethylsulfonyl-1-propan-2-yl-4-(trifluoromethyl)benzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfanyl-2-propan-2-ylbenzene;3-ethylsulfanyl-2-propan-2-ylpyridine;2-ethylsulfanyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-ethylsulfinyl-2-propan-2-ylbenzene;2-ethylsulfinyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-ethylsulfonyl-2-propan-2-ylbenzene;2-ethylsulfonyl-1-propan-2-yl-4-(trifluoromethyl)benzene?
The IUPAC name of 1-ethylsulfanyl-2-propan-2-ylbenzene;3-ethylsulfanyl-2-propan-2-ylpyridine;2-ethylsulfanyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-ethylsulfinyl-2-propan-2-ylbenzene;2-ethylsulfinyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-ethylsulfonyl-2-propan-2-ylbenzene;2-ethylsulfonyl-1-propan-2-yl-4-(trifluoromethyl)benzene (CID 159749006) is 1-ethylsulfanyl-2-propan-2-ylbenzene;3-ethylsulfanyl-2-propan-2-ylpyridine;2-ethylsulfanyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-ethylsulfinyl-2-propan-2-ylbenzene;2-ethylsulfinyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-ethylsulfonyl-2-propan-2-ylbenzene;2-ethylsulfonyl-1-propan-2-yl-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-ethylsulfanyl-2-propan-2-ylbenzene;3-ethylsulfanyl-2-propan-2-ylpyridine;2-ethylsulfanyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-ethylsulfinyl-2-propan-2-ylbenzene;2-ethylsulfinyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-ethylsulfonyl-2-propan-2-ylbenzene;2-ethylsulfonyl-1-propan-2-yl-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-ethylsulfanyl-2-propan-2-ylbenzene;3-ethylsulfanyl-2-propan-2-ylpyridine;2-ethylsulfanyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-ethylsulfinyl-2-propan-2-ylbenzene;2-ethylsulfinyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-ethylsulfonyl-2-propan-2-ylbenzene;2-ethylsulfonyl-1-propan-2-yl-4-(trifluoromethyl)benzene is CCS(=O)(=O)c1cc(C(F)(F)F)ccc1C(C)C.CCS(=O)(=O)c1ccccc1C(C)C.CCS(=O)c1cc(C(F)(F)F)ccc1C(C)C.CCS(=O)c1ccccc1C(C)C.CCSc1cc(C(F)(F)F)ccc1C(C)C.CCSc1ccccc1C(C)C.CCSc1cccnc1C(C)C.
What is the InChIKey of 1-ethylsulfanyl-2-propan-2-ylbenzene;3-ethylsulfanyl-2-propan-2-ylpyridine;2-ethylsulfanyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-ethylsulfinyl-2-propan-2-ylbenzene;2-ethylsulfinyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-ethylsulfonyl-2-propan-2-ylbenzene;2-ethylsulfonyl-1-propan-2-yl-4-(trifluoromethyl)benzene?
The InChIKey is NDKJXJMPKOQMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3O2S.C12H15F3OS.C12H15F3S.C11H16O2S.C11H16OS.C11H16S.C10H15NS/c1-4-18(16,17)11-7-9(12(13,14)15)5-6-10(11)8(2)3;1-4-17(16)11-7-9(12(13,14)15)5-6-10(11)8(2)3;1-4-16-11-7-9(12(13,14)15)5-6-10(11)8(2)3;1-4-14(12,13)11-8-6-5-7-10(11)9(2)3;1-4-13(12)11-8-6-5-7-10(11)9(2)3;1-4-12-11-8-6-5-7-10(11)9(2)3;1-4-12-9-6-5-7-11-10(9)8(2)3/h5-8H,4H2,1-3H3;5-8H,4H2,1-3H3;5-8H,4H2,1-3H3;5-9H,4H2,1-3H3;5-9H,4H2,1-3H3;5-9H,4H2,1-3H3;5-8H,4H2,1-3H3.
What are the key properties of 1-ethylsulfanyl-2-propan-2-ylbenzene;3-ethylsulfanyl-2-propan-2-ylpyridine;2-ethylsulfanyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-ethylsulfinyl-2-propan-2-ylbenzene;2-ethylsulfinyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-ethylsulfonyl-2-propan-2-ylbenzene;2-ethylsulfonyl-1-propan-2-yl-4-(trifluoromethyl)benzene?
1-ethylsulfanyl-2-propan-2-ylbenzene;3-ethylsulfanyl-2-propan-2-ylpyridine;2-ethylsulfanyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-ethylsulfinyl-2-propan-2-ylbenzene;2-ethylsulfinyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-ethylsulfonyl-2-propan-2-ylbenzene;2-ethylsulfonyl-1-propan-2-yl-4-(trifluoromethyl)benzene has a molecular weight of 1563.18 g/mol, XLogP of 25.30, 21 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanyl-2-propan-2-ylbenzene;3-ethylsulfanyl-2-propan-2-ylpyridine;2-ethylsulfanyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-ethylsulfinyl-2-propan-2-ylbenzene;2-ethylsulfinyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-ethylsulfonyl-2-propan-2-ylbenzene;2-ethylsulfonyl-1-propan-2-yl-4-(trifluoromethyl)benzene is sourced from PubChem (CID 159749006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).