3-ethylsulfanyl-4-propan-2-ylpyridine;3-ethylsulfanyl-2-propan-2-yl-5-(trifluoromethyl)pyridine;3-ethylsulfinyl-2-propan-2-ylpyridine;3-ethylsulfinyl-4-propan-2-ylpyridine;3-ethylsulfinyl-2-propan-2-yl-5-(trifluoromethyl)pyridine;3-ethylsulfonyl-2-propan-2-ylpyridine;3-ethylsulfonyl-2-propan-2-yl-5-(trifluoromethyl)pyridine

C73H102F9N7O7S7 — CID 159178904

IUPAC3-ethylsulfanyl-4-propan-2-ylpyridine;3-ethylsulfanyl-2-propan-2-yl-5-(trifluoromethyl)pyridine;3-ethylsulfinyl-2-propan-2-ylpyridine;3-ethylsulfinyl-4-propan-2-ylpyridine;3-ethylsulfinyl-2-propan-2-yl-5-(trifluoromethyl)pyridine;3-ethylsulfonyl-2-propan-2-ylpyridine;3-ethylsulfonyl-2-propan-2-yl-5-(trifluoromethyl)pyridine
SMILESCCS(=O)(=O)c1cc(C(F)(F)F)cnc1C(C)C.CCS(=O)(=O)c1cccnc1C(C)C.CCS(=O)c1cc(C(F)(F)F)cnc1C(C)C.CCS(=O)c1cccnc1C(C)C.CCS(=O)c1cnccc1C(C)C.CCSc1cc(C(F)(F)F)cnc1C(C)C.CCSc1cnccc1C(C)C
InChIInChI=1S/C11H14F3NO2S.C11H14F3NOS.C11H14F3NS.C10H15NO2S.2C10H15NOS.C10H15NS/c1-4-18(16,17)9-5-8(11(12,13)14)6-15-10(9)7(2)3;1-4-17(16)9-5-8(11(12,13)14)6-15-10(9)7(2)3;1-4-16-9-5-8(11(12,13)14)6-15-10(9)7(2)3;1-4-14(12,13)9-6-5-7-11-10(9)8(2)3;1-4-13(12)10-7-11-6-5-9(10)8(2)3;1-4-13(12)9-6-5-7-11-10(9)8(2)3;1-4-12-10-7-11-6-5-9(10)8(2)3/h5-7H,4H2,1-3H3;5-7H,4H2,1-3H3;5-7H,4H2,1-3H3;5-8H,4H2,1-3H3;2*5-8H,4H2,1-3H3;5-8H,4H2,1-3H3
InChIKeyKMQCJSBMGABGAN-UHFFFAOYSA-N
MW1585.11 g/mol
LogP20.69
Rot. Bonds21

About 3-ethylsulfanyl-4-propan-2-ylpyridine;3-ethylsulfanyl-2-propan-2-yl-5-(trifluoromethyl)pyridine;3-ethylsulfinyl-2-propan-2-ylpyridine;3-ethylsulfinyl-4-propan-2-ylpyridine;3-ethylsulfinyl-2-propan-2-yl-5-(trifluoromethyl)pyridine;3-ethylsulfonyl-2-propan-2-ylpyridine;3-ethylsulfonyl-2-propan-2-yl-5-(trifluoromethyl)pyridine

3-ethylsulfanyl-4-propan-2-ylpyridine;3-ethylsulfanyl-2-propan-2-yl-5-(trifluoromethyl)pyridine;3-ethylsulfinyl-2-propan-2-ylpyridine;3-ethylsulfinyl-4-propan-2-ylpyridine;3-ethylsulfinyl-2-propan-2-yl-5-(trifluoromethyl)pyridine;3-ethylsulfonyl-2-propan-2-ylpyridine;3-ethylsulfonyl-2-propan-2-yl-5-(trifluoromethyl)pyridine (PubChem CID 159178904) has the molecular formula C73H102F9N7O7S7 and a molecular weight of 1585.11 g/mol. Its IUPAC name is 3-ethylsulfanyl-4-propan-2-ylpyridine;3-ethylsulfanyl-2-propan-2-yl-5-(trifluoromethyl)pyridine;3-ethylsulfinyl-2-propan-2-ylpyridine;3-ethylsulfinyl-4-propan-2-ylpyridine;3-ethylsulfinyl-2-propan-2-yl-5-(trifluoromethyl)pyridine;3-ethylsulfonyl-2-propan-2-ylpyridine;3-ethylsulfonyl-2-propan-2-yl-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-ethylsulfanyl-4-propan-2-ylpyridine;3-ethylsulfanyl-2-propan-2-yl-5-(trifluoromethyl)pyridine;3-ethylsulfinyl-2-propan-2-ylpyridine;3-ethylsulfinyl-4-propan-2-ylpyridine;3-ethylsulfinyl-2-propan-2-yl-5-(trifluoromethyl)pyridine;3-ethylsulfonyl-2-propan-2-ylpyridine;3-ethylsulfonyl-2-propan-2-yl-5-(trifluoromethyl)pyridine
PubChem CID159178904
Molecular FormulaC73H102F9N7O7S7
Molecular Weight1585.11 g/mol
Exact Mass1583.57
IUPAC Name3-ethylsulfanyl-4-propan-2-ylpyridine;3-ethylsulfanyl-2-propan-2-yl-5-(trifluoromethyl)pyridine;3-ethylsulfinyl-2-propan-2-ylpyridine;3-ethylsulfinyl-4-propan-2-ylpyridine;3-ethylsulfinyl-2-propan-2-yl-5-(trifluoromethyl)pyridine;3-ethylsulfonyl-2-propan-2-ylpyridine;3-ethylsulfonyl-2-propan-2-yl-5-(trifluoromethyl)pyridine
SMILESCCS(=O)(=O)c1cc(C(F)(F)F)cnc1C(C)C.CCS(=O)(=O)c1cccnc1C(C)C.CCS(=O)c1cc(C(F)(F)F)cnc1C(C)C.CCS(=O)c1cccnc1C(C)C.CCS(=O)c1cnccc1C(C)C.CCSc1cc(C(F)(F)F)cnc1C(C)C.CCSc1cnccc1C(C)C
InChIInChI=1S/C11H14F3NO2S.C11H14F3NOS.C11H14F3NS.C10H15NO2S.2C10H15NOS.C10H15NS/c1-4-18(16,17)9-5-8(11(12,13)14)6-15-10(9)7(2)3;1-4-17(16)9-5-8(11(12,13)14)6-15-10(9)7(2)3;1-4-16-9-5-8(11(12,13)14)6-15-10(9)7(2)3;1-4-14(12,13)9-6-5-7-11-10(9)8(2)3;1-4-13(12)10-7-11-6-5-9(10)8(2)3;1-4-13(12)9-6-5-7-11-10(9)8(2)3;1-4-12-10-7-11-6-5-9(10)8(2)3/h5-7H,4H2,1-3H3;5-7H,4H2,1-3H3;5-7H,4H2,1-3H3;5-8H,4H2,1-3H3;2*5-8H,4H2,1-3H3;5-8H,4H2,1-3H3
InChIKeyKMQCJSBMGABGAN-UHFFFAOYSA-N
XLogP20.69
TPSA209.72 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds21
Heavy Atoms103
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001585.11
LogP ≤ 520.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 3-ethylsulfanyl-4-propan-2-ylpyridine;3-ethylsulfanyl-2-propan-2-yl-5-(trifluoromethyl)pyridine;3-ethylsulfinyl-2-propan-2-ylpyridine;3-ethylsulfinyl-4-propan-2-ylpyridine;3-ethylsulfinyl-2-propan-2-yl-5-(trifluoromethyl)pyridine;3-ethylsulfonyl-2-propan-2-ylpyridine;3-ethylsulfonyl-2-propan-2-yl-5-(trifluoromethyl)pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-4-propan-2-ylpyridine;3-ethylsulfanyl-2-propan-2-yl-5-(trifluoromethyl)pyridine;3-ethylsulfinyl-2-propan-2-ylpyridine;3-ethylsulfinyl-4-propan-2-ylpyridine;3-ethylsulfinyl-2-propan-2-yl-5-(trifluoromethyl)pyridine;3-ethylsulfonyl-2-propan-2-ylpyridine;3-ethylsulfonyl-2-propan-2-yl-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-ethylsulfanyl-4-propan-2-ylpyridine;3-ethylsulfanyl-2-propan-2-yl-5-(trifluoromethyl)pyridine;3-ethylsulfinyl-2-propan-2-ylpyridine;3-ethylsulfinyl-4-propan-2-ylpyridine;3-ethylsulfinyl-2-propan-2-yl-5-(trifluoromethyl)pyridine;3-ethylsulfonyl-2-propan-2-ylpyridine;3-ethylsulfonyl-2-propan-2-yl-5-(trifluoromethyl)pyridine (CID 159178904) is 3-ethylsulfanyl-4-propan-2-ylpyridine;3-ethylsulfanyl-2-propan-2-yl-5-(trifluoromethyl)pyridine;3-ethylsulfinyl-2-propan-2-ylpyridine;3-ethylsulfinyl-4-propan-2-ylpyridine;3-ethylsulfinyl-2-propan-2-yl-5-(trifluoromethyl)pyridine;3-ethylsulfonyl-2-propan-2-ylpyridine;3-ethylsulfonyl-2-propan-2-yl-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-ethylsulfanyl-4-propan-2-ylpyridine;3-ethylsulfanyl-2-propan-2-yl-5-(trifluoromethyl)pyridine;3-ethylsulfinyl-2-propan-2-ylpyridine;3-ethylsulfinyl-4-propan-2-ylpyridine;3-ethylsulfinyl-2-propan-2-yl-5-(trifluoromethyl)pyridine;3-ethylsulfonyl-2-propan-2-ylpyridine;3-ethylsulfonyl-2-propan-2-yl-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-ethylsulfanyl-4-propan-2-ylpyridine;3-ethylsulfanyl-2-propan-2-yl-5-(trifluoromethyl)pyridine;3-ethylsulfinyl-2-propan-2-ylpyridine;3-ethylsulfinyl-4-propan-2-ylpyridine;3-ethylsulfinyl-2-propan-2-yl-5-(trifluoromethyl)pyridine;3-ethylsulfonyl-2-propan-2-ylpyridine;3-ethylsulfonyl-2-propan-2-yl-5-(trifluoromethyl)pyridine is CCS(=O)(=O)c1cc(C(F)(F)F)cnc1C(C)C.CCS(=O)(=O)c1cccnc1C(C)C.CCS(=O)c1cc(C(F)(F)F)cnc1C(C)C.CCS(=O)c1cccnc1C(C)C.CCS(=O)c1cnccc1C(C)C.CCSc1cc(C(F)(F)F)cnc1C(C)C.CCSc1cnccc1C(C)C.
What is the InChIKey of 3-ethylsulfanyl-4-propan-2-ylpyridine;3-ethylsulfanyl-2-propan-2-yl-5-(trifluoromethyl)pyridine;3-ethylsulfinyl-2-propan-2-ylpyridine;3-ethylsulfinyl-4-propan-2-ylpyridine;3-ethylsulfinyl-2-propan-2-yl-5-(trifluoromethyl)pyridine;3-ethylsulfonyl-2-propan-2-ylpyridine;3-ethylsulfonyl-2-propan-2-yl-5-(trifluoromethyl)pyridine?
The InChIKey is KMQCJSBMGABGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO2S.C11H14F3NOS.C11H14F3NS.C10H15NO2S.2C10H15NOS.C10H15NS/c1-4-18(16,17)9-5-8(11(12,13)14)6-15-10(9)7(2)3;1-4-17(16)9-5-8(11(12,13)14)6-15-10(9)7(2)3;1-4-16-9-5-8(11(12,13)14)6-15-10(9)7(2)3;1-4-14(12,13)9-6-5-7-11-10(9)8(2)3;1-4-13(12)10-7-11-6-5-9(10)8(2)3;1-4-13(12)9-6-5-7-11-10(9)8(2)3;1-4-12-10-7-11-6-5-9(10)8(2)3/h5-7H,4H2,1-3H3;5-7H,4H2,1-3H3;5-7H,4H2,1-3H3;5-8H,4H2,1-3H3;2*5-8H,4H2,1-3H3;5-8H,4H2,1-3H3.
What are the key properties of 3-ethylsulfanyl-4-propan-2-ylpyridine;3-ethylsulfanyl-2-propan-2-yl-5-(trifluoromethyl)pyridine;3-ethylsulfinyl-2-propan-2-ylpyridine;3-ethylsulfinyl-4-propan-2-ylpyridine;3-ethylsulfinyl-2-propan-2-yl-5-(trifluoromethyl)pyridine;3-ethylsulfonyl-2-propan-2-ylpyridine;3-ethylsulfonyl-2-propan-2-yl-5-(trifluoromethyl)pyridine?
3-ethylsulfanyl-4-propan-2-ylpyridine;3-ethylsulfanyl-2-propan-2-yl-5-(trifluoromethyl)pyridine;3-ethylsulfinyl-2-propan-2-ylpyridine;3-ethylsulfinyl-4-propan-2-ylpyridine;3-ethylsulfinyl-2-propan-2-yl-5-(trifluoromethyl)pyridine;3-ethylsulfonyl-2-propan-2-ylpyridine;3-ethylsulfonyl-2-propan-2-yl-5-(trifluoromethyl)pyridine has a molecular weight of 1585.11 g/mol, XLogP of 20.69, 21 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-4-propan-2-ylpyridine;3-ethylsulfanyl-2-propan-2-yl-5-(trifluoromethyl)pyridine;3-ethylsulfinyl-2-propan-2-ylpyridine;3-ethylsulfinyl-4-propan-2-ylpyridine;3-ethylsulfinyl-2-propan-2-yl-5-(trifluoromethyl)pyridine;3-ethylsulfonyl-2-propan-2-ylpyridine;3-ethylsulfonyl-2-propan-2-yl-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 159178904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).