2-tert-butyl-6-[(E)-2-(2,2-dimethylpropylsulfanyl)ethenyl]pyridine;4-tert-butyl-2-[(E)-2-(2,2-dimethylpropylsulfanyl)ethenyl]pyridine;2-tert-butyl-4-[(E)-2-(2,2-dimethylpropylsulfanyl)ethenyl]pyrimidine;4-tert-butyl-2-[(E)-2-(2,2-dimethylpropylsulfanyl)ethenyl]pyrimidine;4-tert-butyl-6-[(E)-2-(2,2-dimethylpropylsulfanyl)ethenyl]pyrimidine;2-tert-butyl-6-(2,2-dimethylpropylsulfanyl)pyridine;3-tert-butyl-2-(2,2-dimethylpropylsulfanyl)pyridine

C105H168N10S7 — CID 157266817

IUPAC2-tert-butyl-6-[(E)-2-(2,2-dimethylpropylsulfanyl)ethenyl]pyridine;4-tert-butyl-2-[(E)-2-(2,2-dimethylpropylsulfanyl)ethenyl]pyridine;2-tert-butyl-4-[(E)-2-(2,2-dimethylpropylsulfanyl)ethenyl]pyrimidine;4-tert-butyl-2-[(E)-2-(2,2-dimethylpropylsulfanyl)ethenyl]pyrimidine;4-tert-butyl-6-[(E)-2-(2,2-dimethylpropylsulfanyl)ethenyl]pyrimidine;2-tert-butyl-6-(2,2-dimethylpropylsulfanyl)pyridine;3-tert-butyl-2-(2,2-dimethylpropylsulfanyl)pyridine
SMILESCC(C)(C)CS/C=C/c1cc(C(C)(C)C)ccn1.CC(C)(C)CS/C=C/c1cc(C(C)(C)C)ncn1.CC(C)(C)CS/C=C/c1cccc(C(C)(C)C)n1.CC(C)(C)CS/C=C/c1ccnc(C(C)(C)C)n1.CC(C)(C)CS/C=C/c1nccc(C(C)(C)C)n1.CC(C)(C)CSc1cccc(C(C)(C)C)n1.CC(C)(C)CSc1ncccc1C(C)(C)C
InChIInChI=1S/2C16H25NS.3C15H24N2S.2C14H23NS/c1-15(2,3)12-18-10-8-14-11-13(7-9-17-14)16(4,5)6;1-15(2,3)12-18-11-10-13-8-7-9-14(17-13)16(4,5)6;1-14(2,3)11-18-10-8-13-16-9-7-12(17-13)15(4,5)6;1-14(2,3)11-18-10-8-12-7-9-16-13(17-12)15(4,5)6;1-14(2,3)10-18-8-7-12-9-13(15(4,5)6)17-11-16-12;1-13(2,3)10-16-12-11(14(4,5)6)8-7-9-15-12;1-13(2,3)10-16-12-9-7-8-11(15-12)14(4,5)6/h2*7-11H,12H2,1-6H3;2*7-10H,11H2,1-6H3;7-9,11H,10H2,1-6H3;2*7-9H,10H2,1-6H3/b10-8+;11-10+;2*10-8+;8-7+;;
InChIKeyAYBZGEPFMUUHDA-WACODOKOSA-N
MW1795.04 g/mol
LogP32.87
Rot. Bonds19

About 2-tert-butyl-6-[(E)-2-(2,2-dimethylpropylsulfanyl)ethenyl]pyridine;4-tert-butyl-2-[(E)-2-(2,2-dimethylpropylsulfanyl)ethenyl]pyridine;2-tert-butyl-4-[(E)-2-(2,2-dimethylpropylsulfanyl)ethenyl]pyrimidine;4-tert-butyl-2-[(E)-2-(2,2-dimethylpropylsulfanyl)ethenyl]pyrimidine;4-tert-butyl-6-[(E)-2-(2,2-dimethylpropylsulfanyl)ethenyl]pyrimidine;2-tert-butyl-6-(2,2-dimethylpropylsulfanyl)pyridine;3-tert-butyl-2-(2,2-dimethylpropylsulfanyl)pyridine

2-tert-butyl-6-[(E)-2-(2,2-dimethylpropylsulfanyl)ethenyl]pyridine;4-tert-butyl-2-[(E)-2-(2,2-dimethylpropylsulfanyl)ethenyl]pyridine;2-tert-butyl-4-[(E)-2-(2,2-dimethylpropylsulfanyl)ethenyl]pyrimidine;4-tert-butyl-2-[(E)-2-(2,2-dimethylpropylsulfanyl)ethenyl]pyrimidine;4-tert-butyl-6-[(E)-2-(2,2-dimethylpropylsulfanyl)ethenyl]pyrimidine;2-tert-butyl-6-(2,2-dimethylpropylsulfanyl)pyridine;3-tert-butyl-2-(2,2-dimethylpropylsulfanyl)pyridine (PubChem CID 157266817) has the molecular formula C105H168N10S7 and a molecular weight of 1795.04 g/mol. Its IUPAC name is 2-tert-butyl-6-[(E)-2-(2,2-dimethylpropylsulfanyl)ethenyl]pyridine;4-tert-butyl-2-[(E)-2-(2,2-dimethylpropylsulfanyl)ethenyl]pyridine;2-tert-butyl-4-[(E)-2-(2,2-dimethylpropylsulfanyl)ethenyl]pyrimidine;4-tert-butyl-2-[(E)-2-(2,2-dimethylpropylsulfanyl)ethenyl]pyrimidine;4-tert-butyl-6-[(E)-2-(2,2-dimethylpropylsulfanyl)ethenyl]pyrimidine;2-tert-butyl-6-(2,2-dimethylpropylsulfanyl)pyridine;3-tert-butyl-2-(2,2-dimethylpropylsulfanyl)pyridine.

Molecular Properties

Compound Name2-tert-butyl-6-[(E)-2-(2,2-dimethylpropylsulfanyl)ethenyl]pyridine;4-tert-butyl-2-[(E)-2-(2,2-dimethylpropylsulfanyl)ethenyl]pyridine;2-tert-butyl-4-[(E)-2-(2,2-dimethylpropylsulfanyl)ethenyl]pyrimidine;4-tert-butyl-2-[(E)-2-(2,2-dimethylpropylsulfanyl)ethenyl]pyrimidine;4-tert-butyl-6-[(E)-2-(2,2-dimethylpropylsulfanyl)ethenyl]pyrimidine;2-tert-butyl-6-(2,2-dimethylpropylsulfanyl)pyridine;3-tert-butyl-2-(2,2-dimethylpropylsulfanyl)pyridine
PubChem CID157266817
Molecular FormulaC105H168N10S7
Molecular Weight1795.04 g/mol
Exact Mass1793.15
IUPAC Name2-tert-butyl-6-[(E)-2-(2,2-dimethylpropylsulfanyl)ethenyl]pyridine;4-tert-butyl-2-[(E)-2-(2,2-dimethylpropylsulfanyl)ethenyl]pyridine;2-tert-butyl-4-[(E)-2-(2,2-dimethylpropylsulfanyl)ethenyl]pyrimidine;4-tert-butyl-2-[(E)-2-(2,2-dimethylpropylsulfanyl)ethenyl]pyrimidine;4-tert-butyl-6-[(E)-2-(2,2-dimethylpropylsulfanyl)ethenyl]pyrimidine;2-tert-butyl-6-(2,2-dimethylpropylsulfanyl)pyridine;3-tert-butyl-2-(2,2-dimethylpropylsulfanyl)pyridine
SMILESCC(C)(C)CS/C=C/c1cc(C(C)(C)C)ccn1.CC(C)(C)CS/C=C/c1cc(C(C)(C)C)ncn1.CC(C)(C)CS/C=C/c1cccc(C(C)(C)C)n1.CC(C)(C)CS/C=C/c1ccnc(C(C)(C)C)n1.CC(C)(C)CS/C=C/c1nccc(C(C)(C)C)n1.CC(C)(C)CSc1cccc(C(C)(C)C)n1.CC(C)(C)CSc1ncccc1C(C)(C)C
InChIInChI=1S/2C16H25NS.3C15H24N2S.2C14H23NS/c1-15(2,3)12-18-10-8-14-11-13(7-9-17-14)16(4,5)6;1-15(2,3)12-18-11-10-13-8-7-9-14(17-13)16(4,5)6;1-14(2,3)11-18-10-8-13-16-9-7-12(17-13)15(4,5)6;1-14(2,3)11-18-10-8-12-7-9-16-13(17-12)15(4,5)6;1-14(2,3)10-18-8-7-12-9-13(15(4,5)6)17-11-16-12;1-13(2,3)10-16-12-11(14(4,5)6)8-7-9-15-12;1-13(2,3)10-16-12-9-7-8-11(15-12)14(4,5)6/h2*7-11H,12H2,1-6H3;2*7-10H,11H2,1-6H3;7-9,11H,10H2,1-6H3;2*7-9H,10H2,1-6H3/b10-8+;11-10+;2*10-8+;8-7+;;
InChIKeyAYBZGEPFMUUHDA-WACODOKOSA-N
XLogP32.87
TPSA128.90 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds19
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001795.04
LogP ≤ 532.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 2-tert-butyl-6-[(E)-2-(2,2-dimethylpropylsulfanyl)ethenyl]pyridine;4-tert-butyl-2-[(E)-2-(2,2-dimethylpropylsulfanyl)ethenyl]pyridine;2-tert-butyl-4-[(E)-2-(2,2-dimethylpropylsulfanyl)ethenyl]pyrimidine;4-tert-butyl-2-[(E)-2-(2,2-dimethylpropylsulfanyl)ethenyl]pyrimidine;4-tert-butyl-6-[(E)-2-(2,2-dimethylpropylsulfanyl)ethenyl]pyrimidine;2-tert-butyl-6-(2,2-dimethylpropylsulfanyl)pyridine;3-tert-butyl-2-(2,2-dimethylpropylsulfanyl)pyridine with MolForge

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Launch Full Analysis

Related Compounds

5-(4-Fluorophenyl)-2-[(4-methylsulfanylphenyl)methylsulfanyl]-4-pyridin-4-ylpyrimidine
CID 10873486
5-Methyl-2-(pyridin-2-ylmethylsulfanyl)-4-[1-(thiophen-3-ylmethyl)piperidin-3-yl]pyrimidine
CID 45167404
2-methylsulfanyl-N,N-bis(pyridin-2-ylmethyl)-6-thiophen-3-ylpyrimidin-4-amine
CID 155567089
2-(4-Tert-butylphenyl)-4-methyl-5-(2-pyridin-3-ylpyrimidin-4-yl)-1,3-thiazole
CID 135370749
4-Phenyl-9-thia-3,5,11-triazatricyclo[8.4.0.02,7]tetradeca-1(10),2,4,6,11,13-hexaene
CID 11288925
B3PyMPM
CID 58556437
4,6-Bis(3,5-di(pyridin-4-yl)phenyl)-2-methylpyrimidine
CID 67967165
4,6-Bis(3,5-di(pyridin-3-yl)phenyl)-2-(pyridin-3-yl)pyrimidine
CID 102345540
5-(4-Fluorophenyl)-2-(phenylsulfanylmethyl)-4-pyridin-4-ylpyrimidine
CID 23000381
5-[2-(3-Fluorophenyl)pyrimidin-4-yl]-4-(2-methylsulfanyl-3-pyridinyl)pyrimidin-2-amine
CID 69550423
5-[5-(3-Fluorophenyl)-2-(2-methylsulfanyl-3-pyridinyl)pyrimidin-4-yl]pyrimidin-2-amine
CID 69550427
4-ethyl-N-[5-[3-[4-[4-ethyl-6-[[4-[5-[[4-[4-ethyl-6-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]methyl]-2-pyridinyl]pyrimidin-2-yl]amino]-1,3,5-triazin-2-yl]-1-methylpiperazin-2-yl]phenyl]sulfanylpyrimidin-2-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 91027382

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[(E)-2-(2,2-dimethylpropylsulfanyl)ethenyl]pyridine;4-tert-butyl-2-[(E)-2-(2,2-dimethylpropylsulfanyl)ethenyl]pyridine;2-tert-butyl-4-[(E)-2-(2,2-dimethylpropylsulfanyl)ethenyl]pyrimidine;4-tert-butyl-2-[(E)-2-(2,2-dimethylpropylsulfanyl)ethenyl]pyrimidine;4-tert-butyl-6-[(E)-2-(2,2-dimethylpropylsulfanyl)ethenyl]pyrimidine;2-tert-butyl-6-(2,2-dimethylpropylsulfanyl)pyridine;3-tert-butyl-2-(2,2-dimethylpropylsulfanyl)pyridine?
The IUPAC name of 2-tert-butyl-6-[(E)-2-(2,2-dimethylpropylsulfanyl)ethenyl]pyridine;4-tert-butyl-2-[(E)-2-(2,2-dimethylpropylsulfanyl)ethenyl]pyridine;2-tert-butyl-4-[(E)-2-(2,2-dimethylpropylsulfanyl)ethenyl]pyrimidine;4-tert-butyl-2-[(E)-2-(2,2-dimethylpropylsulfanyl)ethenyl]pyrimidine;4-tert-butyl-6-[(E)-2-(2,2-dimethylpropylsulfanyl)ethenyl]pyrimidine;2-tert-butyl-6-(2,2-dimethylpropylsulfanyl)pyridine;3-tert-butyl-2-(2,2-dimethylpropylsulfanyl)pyridine (CID 157266817) is 2-tert-butyl-6-[(E)-2-(2,2-dimethylpropylsulfanyl)ethenyl]pyridine;4-tert-butyl-2-[(E)-2-(2,2-dimethylpropylsulfanyl)ethenyl]pyridine;2-tert-butyl-4-[(E)-2-(2,2-dimethylpropylsulfanyl)ethenyl]pyrimidine;4-tert-butyl-2-[(E)-2-(2,2-dimethylpropylsulfanyl)ethenyl]pyrimidine;4-tert-butyl-6-[(E)-2-(2,2-dimethylpropylsulfanyl)ethenyl]pyrimidine;2-tert-butyl-6-(2,2-dimethylpropylsulfanyl)pyridine;3-tert-butyl-2-(2,2-dimethylpropylsulfanyl)pyridine.
What is the SMILES notation for 2-tert-butyl-6-[(E)-2-(2,2-dimethylpropylsulfanyl)ethenyl]pyridine;4-tert-butyl-2-[(E)-2-(2,2-dimethylpropylsulfanyl)ethenyl]pyridine;2-tert-butyl-4-[(E)-2-(2,2-dimethylpropylsulfanyl)ethenyl]pyrimidine;4-tert-butyl-2-[(E)-2-(2,2-dimethylpropylsulfanyl)ethenyl]pyrimidine;4-tert-butyl-6-[(E)-2-(2,2-dimethylpropylsulfanyl)ethenyl]pyrimidine;2-tert-butyl-6-(2,2-dimethylpropylsulfanyl)pyridine;3-tert-butyl-2-(2,2-dimethylpropylsulfanyl)pyridine?
The canonical SMILES for 2-tert-butyl-6-[(E)-2-(2,2-dimethylpropylsulfanyl)ethenyl]pyridine;4-tert-butyl-2-[(E)-2-(2,2-dimethylpropylsulfanyl)ethenyl]pyridine;2-tert-butyl-4-[(E)-2-(2,2-dimethylpropylsulfanyl)ethenyl]pyrimidine;4-tert-butyl-2-[(E)-2-(2,2-dimethylpropylsulfanyl)ethenyl]pyrimidine;4-tert-butyl-6-[(E)-2-(2,2-dimethylpropylsulfanyl)ethenyl]pyrimidine;2-tert-butyl-6-(2,2-dimethylpropylsulfanyl)pyridine;3-tert-butyl-2-(2,2-dimethylpropylsulfanyl)pyridine is CC(C)(C)CS/C=C/c1cc(C(C)(C)C)ccn1.CC(C)(C)CS/C=C/c1cc(C(C)(C)C)ncn1.CC(C)(C)CS/C=C/c1cccc(C(C)(C)C)n1.CC(C)(C)CS/C=C/c1ccnc(C(C)(C)C)n1.CC(C)(C)CS/C=C/c1nccc(C(C)(C)C)n1.CC(C)(C)CSc1cccc(C(C)(C)C)n1.CC(C)(C)CSc1ncccc1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-6-[(E)-2-(2,2-dimethylpropylsulfanyl)ethenyl]pyridine;4-tert-butyl-2-[(E)-2-(2,2-dimethylpropylsulfanyl)ethenyl]pyridine;2-tert-butyl-4-[(E)-2-(2,2-dimethylpropylsulfanyl)ethenyl]pyrimidine;4-tert-butyl-2-[(E)-2-(2,2-dimethylpropylsulfanyl)ethenyl]pyrimidine;4-tert-butyl-6-[(E)-2-(2,2-dimethylpropylsulfanyl)ethenyl]pyrimidine;2-tert-butyl-6-(2,2-dimethylpropylsulfanyl)pyridine;3-tert-butyl-2-(2,2-dimethylpropylsulfanyl)pyridine?
The InChIKey is AYBZGEPFMUUHDA-WACODOKOSA-N. The full InChI is InChI=1S/2C16H25NS.3C15H24N2S.2C14H23NS/c1-15(2,3)12-18-10-8-14-11-13(7-9-17-14)16(4,5)6;1-15(2,3)12-18-11-10-13-8-7-9-14(17-13)16(4,5)6;1-14(2,3)11-18-10-8-13-16-9-7-12(17-13)15(4,5)6;1-14(2,3)11-18-10-8-12-7-9-16-13(17-12)15(4,5)6;1-14(2,3)10-18-8-7-12-9-13(15(4,5)6)17-11-16-12;1-13(2,3)10-16-12-11(14(4,5)6)8-7-9-15-12;1-13(2,3)10-16-12-9-7-8-11(15-12)14(4,5)6/h2*7-11H,12H2,1-6H3;2*7-10H,11H2,1-6H3;7-9,11H,10H2,1-6H3;2*7-9H,10H2,1-6H3/b10-8+;11-10+;2*10-8+;8-7+;;.
What are the key properties of 2-tert-butyl-6-[(E)-2-(2,2-dimethylpropylsulfanyl)ethenyl]pyridine;4-tert-butyl-2-[(E)-2-(2,2-dimethylpropylsulfanyl)ethenyl]pyridine;2-tert-butyl-4-[(E)-2-(2,2-dimethylpropylsulfanyl)ethenyl]pyrimidine;4-tert-butyl-2-[(E)-2-(2,2-dimethylpropylsulfanyl)ethenyl]pyrimidine;4-tert-butyl-6-[(E)-2-(2,2-dimethylpropylsulfanyl)ethenyl]pyrimidine;2-tert-butyl-6-(2,2-dimethylpropylsulfanyl)pyridine;3-tert-butyl-2-(2,2-dimethylpropylsulfanyl)pyridine?
2-tert-butyl-6-[(E)-2-(2,2-dimethylpropylsulfanyl)ethenyl]pyridine;4-tert-butyl-2-[(E)-2-(2,2-dimethylpropylsulfanyl)ethenyl]pyridine;2-tert-butyl-4-[(E)-2-(2,2-dimethylpropylsulfanyl)ethenyl]pyrimidine;4-tert-butyl-2-[(E)-2-(2,2-dimethylpropylsulfanyl)ethenyl]pyrimidine;4-tert-butyl-6-[(E)-2-(2,2-dimethylpropylsulfanyl)ethenyl]pyrimidine;2-tert-butyl-6-(2,2-dimethylpropylsulfanyl)pyridine;3-tert-butyl-2-(2,2-dimethylpropylsulfanyl)pyridine has a molecular weight of 1795.04 g/mol, XLogP of 32.87, 19 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[(E)-2-(2,2-dimethylpropylsulfanyl)ethenyl]pyridine;4-tert-butyl-2-[(E)-2-(2,2-dimethylpropylsulfanyl)ethenyl]pyridine;2-tert-butyl-4-[(E)-2-(2,2-dimethylpropylsulfanyl)ethenyl]pyrimidine;4-tert-butyl-2-[(E)-2-(2,2-dimethylpropylsulfanyl)ethenyl]pyrimidine;4-tert-butyl-6-[(E)-2-(2,2-dimethylpropylsulfanyl)ethenyl]pyrimidine;2-tert-butyl-6-(2,2-dimethylpropylsulfanyl)pyridine;3-tert-butyl-2-(2,2-dimethylpropylsulfanyl)pyridine is sourced from PubChem (CID 157266817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).