ethane;1-ethylsulfanyl-2-propan-2-ylbenzene;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

C81H129F9O6S6 — CID 160983976

IUPACethane;1-ethylsulfanyl-2-propan-2-ylbenzene;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
SMILESCC.CC.CC.CC.CC.CC.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
InChIInChI=1S/C12H15F3O2S.C12H15F3OS.C12H15F3S.C11H16O2S.C11H16OS.C11H16S.6C2H6/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;6*1-2/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;6*1-2H3
InChIKeySZWMGNSVPXSQKL-UHFFFAOYSA-N
MW1562.30 g/mol
LogP28.14
Rot. Bonds18

About ethane;1-ethylsulfanyl-2-propan-2-ylbenzene;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

ethane;1-ethylsulfanyl-2-propan-2-ylbenzene;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 160983976) has the molecular formula C81H129F9O6S6 and a molecular weight of 1562.30 g/mol. Its IUPAC name is ethane;1-ethylsulfanyl-2-propan-2-ylbenzene;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 Nameethane;1-ethylsulfanyl-2-propan-2-ylbenzene;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 CID160983976
Molecular FormulaC81H129F9O6S6
Molecular Weight1562.30 g/mol
Exact Mass1560.80
IUPAC Nameethane;1-ethylsulfanyl-2-propan-2-ylbenzene;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
SMILESCC.CC.CC.CC.CC.CC.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
InChIInChI=1S/C12H15F3O2S.C12H15F3OS.C12H15F3S.C11H16O2S.C11H16OS.C11H16S.6C2H6/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;6*1-2/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;6*1-2H3
InChIKeySZWMGNSVPXSQKL-UHFFFAOYSA-N
XLogP28.14
TPSA102.42 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001562.30
LogP ≤ 528.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethane;1-ethylsulfanyl-2-propan-2-ylbenzene;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 ethane;1-ethylsulfanyl-2-propan-2-ylbenzene;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 ethane;1-ethylsulfanyl-2-propan-2-ylbenzene;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 160983976) is ethane;1-ethylsulfanyl-2-propan-2-ylbenzene;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 ethane;1-ethylsulfanyl-2-propan-2-ylbenzene;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 ethane;1-ethylsulfanyl-2-propan-2-ylbenzene;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 CC.CC.CC.CC.CC.CC.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.
What is the InChIKey of ethane;1-ethylsulfanyl-2-propan-2-ylbenzene;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 SZWMGNSVPXSQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3O2S.C12H15F3OS.C12H15F3S.C11H16O2S.C11H16OS.C11H16S.6C2H6/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;6*1-2/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;6*1-2H3.
What are the key properties of ethane;1-ethylsulfanyl-2-propan-2-ylbenzene;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?
ethane;1-ethylsulfanyl-2-propan-2-ylbenzene;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 1562.30 g/mol, XLogP of 28.14, 18 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethylsulfanyl-2-propan-2-ylbenzene;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 160983976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).