2-tert-butylisoquinoline-1-thione;2-tert-butylisoquinolin-1-one;5-tert-butyl-2-methylfuro[3,2-c]pyridine-4-thione;2-tert-butyl-6-methylisoquinoline-1-thione;2-tert-butyl-7-methylisoquinoline-1-thione;2-tert-butyl-6-methylisoquinolin-1-one;2-tert-butyl-7-methylisoquinolin-1-one;5-tert-butyl-2-methylthieno[3,2-c]pyridine-4-thione;6-tert-butyl-1,6-naphthyridine-5-thione;6-tert-butyl-1,6-naphthyridin-5-one;7-tert-butyl-1,7-naphthyridin-8-one;N-[3-(6-tert-butyl-7-sulfanylidenethieno[2,3-c]pyridin-4-yl)prop-2-ynyl]-2,2-dichloroacetamide;6-tert-butylthieno[2,3-c]pyridine-7-thione;6-tert-butylthieno[2,3-c]pyridin-7-one

C180H212Cl2N18O8S12 — CID 158075130

IUPAC2-tert-butylisoquinoline-1-thione;2-tert-butylisoquinolin-1-one;5-tert-butyl-2-methylfuro[3,2-c]pyridine-4-thione;2-tert-butyl-6-methylisoquinoline-1-thione;2-tert-butyl-7-methylisoquinoline-1-thione;2-tert-butyl-6-methylisoquinolin-1-one;2-tert-butyl-7-methylisoquinolin-1-one;5-tert-butyl-2-methylthieno[3,2-c]pyridine-4-thione;6-tert-butyl-1,6-naphthyridine-5-thione;6-tert-butyl-1,6-naphthyridin-5-one;7-tert-butyl-1,7-naphthyridin-8-one;N-[3-(6-tert-butyl-7-sulfanylidenethieno[2,3-c]pyridin-4-yl)prop-2-ynyl]-2,2-dichloroacetamide;6-tert-butylthieno[2,3-c]pyridine-7-thione;6-tert-butylthieno[2,3-c]pyridin-7-one
SMILESCC(C)(C)n1cc(C#CCNC(=O)C(Cl)Cl)c2ccsc2c1=S.CC(C)(C)n1ccc2ccccc2c1=O.CC(C)(C)n1ccc2ccccc2c1=S.CC(C)(C)n1ccc2cccnc2c1=O.CC(C)(C)n1ccc2ccsc2c1=O.CC(C)(C)n1ccc2ccsc2c1=S.CC(C)(C)n1ccc2ncccc2c1=O.CC(C)(C)n1ccc2ncccc2c1=S.Cc1cc2c(=S)n(C(C)(C)C)ccc2o1.Cc1cc2c(=S)n(C(C)(C)C)ccc2s1.Cc1ccc2c(=O)n(C(C)(C)C)ccc2c1.Cc1ccc2c(=S)n(C(C)(C)C)ccc2c1.Cc1ccc2ccn(C(C)(C)C)c(=O)c2c1.Cc1ccc2ccn(C(C)(C)C)c(=S)c2c1
InChIInChI=1S/C16H16Cl2N2OS2.2C14H17NO.2C14H17NS.C13H15NO.C13H15NS.2C12H14N2O.C12H14N2S.C12H15NOS.C12H15NS2.C11H13NOS.C11H13NS2/c1-16(2,3)20-9-10(5-4-7-19-14(21)13(17)18)11-6-8-23-12(11)15(20)22;1-10-5-6-12-11(9-10)7-8-15(13(12)16)14(2,3)4;1-10-5-6-11-7-8-15(14(2,3)4)13(16)12(11)9-10;1-10-5-6-12-11(9-10)7-8-15(13(12)16)14(2,3)4;1-10-5-6-11-7-8-15(14(2,3)4)13(16)12(11)9-10;2*1-13(2,3)14-9-8-10-6-4-5-7-11(10)12(14)15;1-12(2,3)14-8-6-10-9(11(14)15)5-4-7-13-10;1-12(2,3)14-8-6-9-5-4-7-13-10(9)11(14)15;1-12(2,3)14-8-6-10-9(11(14)15)5-4-7-13-10;1-8-7-9-10(14-8)5-6-13(11(9)15)12(2,3)4;1-8-7-9-10(15-8)5-6-13(11(9)14)12(2,3)4;2*1-11(2,3)12-6-4-8-5-7-14-9(8)10(12)13/h6,8-9,13H,7H2,1-3H3,(H,19,21);4*5-9H,1-4H3;2*4-9H,1-3H3;3*4-8H,1-3H3;2*5-7H,1-4H3;2*4-7H,1-3H3
InChIKeyFMGVPJBZSHQRPK-UHFFFAOYSA-N
MW3211.50 g/mol
LogP49.69
Rot. Bonds2

About 2-tert-butylisoquinoline-1-thione;2-tert-butylisoquinolin-1-one;5-tert-butyl-2-methylfuro[3,2-c]pyridine-4-thione;2-tert-butyl-6-methylisoquinoline-1-thione;2-tert-butyl-7-methylisoquinoline-1-thione;2-tert-butyl-6-methylisoquinolin-1-one;2-tert-butyl-7-methylisoquinolin-1-one;5-tert-butyl-2-methylthieno[3,2-c]pyridine-4-thione;6-tert-butyl-1,6-naphthyridine-5-thione;6-tert-butyl-1,6-naphthyridin-5-one;7-tert-butyl-1,7-naphthyridin-8-one;N-[3-(6-tert-butyl-7-sulfanylidenethieno[2,3-c]pyridin-4-yl)prop-2-ynyl]-2,2-dichloroacetamide;6-tert-butylthieno[2,3-c]pyridine-7-thione;6-tert-butylthieno[2,3-c]pyridin-7-one

2-tert-butylisoquinoline-1-thione;2-tert-butylisoquinolin-1-one;5-tert-butyl-2-methylfuro[3,2-c]pyridine-4-thione;2-tert-butyl-6-methylisoquinoline-1-thione;2-tert-butyl-7-methylisoquinoline-1-thione;2-tert-butyl-6-methylisoquinolin-1-one;2-tert-butyl-7-methylisoquinolin-1-one;5-tert-butyl-2-methylthieno[3,2-c]pyridine-4-thione;6-tert-butyl-1,6-naphthyridine-5-thione;6-tert-butyl-1,6-naphthyridin-5-one;7-tert-butyl-1,7-naphthyridin-8-one;N-[3-(6-tert-butyl-7-sulfanylidenethieno[2,3-c]pyridin-4-yl)prop-2-ynyl]-2,2-dichloroacetamide;6-tert-butylthieno[2,3-c]pyridine-7-thione;6-tert-butylthieno[2,3-c]pyridin-7-one (PubChem CID 158075130) has the molecular formula C180H212Cl2N18O8S12 and a molecular weight of 3211.50 g/mol. Its IUPAC name is 2-tert-butylisoquinoline-1-thione;2-tert-butylisoquinolin-1-one;5-tert-butyl-2-methylfuro[3,2-c]pyridine-4-thione;2-tert-butyl-6-methylisoquinoline-1-thione;2-tert-butyl-7-methylisoquinoline-1-thione;2-tert-butyl-6-methylisoquinolin-1-one;2-tert-butyl-7-methylisoquinolin-1-one;5-tert-butyl-2-methylthieno[3,2-c]pyridine-4-thione;6-tert-butyl-1,6-naphthyridine-5-thione;6-tert-butyl-1,6-naphthyridin-5-one;7-tert-butyl-1,7-naphthyridin-8-one;N-[3-(6-tert-butyl-7-sulfanylidenethieno[2,3-c]pyridin-4-yl)prop-2-ynyl]-2,2-dichloroacetamide;6-tert-butylthieno[2,3-c]pyridine-7-thione;6-tert-butylthieno[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name2-tert-butylisoquinoline-1-thione;2-tert-butylisoquinolin-1-one;5-tert-butyl-2-methylfuro[3,2-c]pyridine-4-thione;2-tert-butyl-6-methylisoquinoline-1-thione;2-tert-butyl-7-methylisoquinoline-1-thione;2-tert-butyl-6-methylisoquinolin-1-one;2-tert-butyl-7-methylisoquinolin-1-one;5-tert-butyl-2-methylthieno[3,2-c]pyridine-4-thione;6-tert-butyl-1,6-naphthyridine-5-thione;6-tert-butyl-1,6-naphthyridin-5-one;7-tert-butyl-1,7-naphthyridin-8-one;N-[3-(6-tert-butyl-7-sulfanylidenethieno[2,3-c]pyridin-4-yl)prop-2-ynyl]-2,2-dichloroacetamide;6-tert-butylthieno[2,3-c]pyridine-7-thione;6-tert-butylthieno[2,3-c]pyridin-7-one
PubChem CID158075130
Molecular FormulaC180H212Cl2N18O8S12
Molecular Weight3211.50 g/mol
Exact Mass3207.28
IUPAC Name2-tert-butylisoquinoline-1-thione;2-tert-butylisoquinolin-1-one;5-tert-butyl-2-methylfuro[3,2-c]pyridine-4-thione;2-tert-butyl-6-methylisoquinoline-1-thione;2-tert-butyl-7-methylisoquinoline-1-thione;2-tert-butyl-6-methylisoquinolin-1-one;2-tert-butyl-7-methylisoquinolin-1-one;5-tert-butyl-2-methylthieno[3,2-c]pyridine-4-thione;6-tert-butyl-1,6-naphthyridine-5-thione;6-tert-butyl-1,6-naphthyridin-5-one;7-tert-butyl-1,7-naphthyridin-8-one;N-[3-(6-tert-butyl-7-sulfanylidenethieno[2,3-c]pyridin-4-yl)prop-2-ynyl]-2,2-dichloroacetamide;6-tert-butylthieno[2,3-c]pyridine-7-thione;6-tert-butylthieno[2,3-c]pyridin-7-one
SMILESCC(C)(C)n1cc(C#CCNC(=O)C(Cl)Cl)c2ccsc2c1=S.CC(C)(C)n1ccc2ccccc2c1=O.CC(C)(C)n1ccc2ccccc2c1=S.CC(C)(C)n1ccc2cccnc2c1=O.CC(C)(C)n1ccc2ccsc2c1=O.CC(C)(C)n1ccc2ccsc2c1=S.CC(C)(C)n1ccc2ncccc2c1=O.CC(C)(C)n1ccc2ncccc2c1=S.Cc1cc2c(=S)n(C(C)(C)C)ccc2o1.Cc1cc2c(=S)n(C(C)(C)C)ccc2s1.Cc1ccc2c(=O)n(C(C)(C)C)ccc2c1.Cc1ccc2c(=S)n(C(C)(C)C)ccc2c1.Cc1ccc2ccn(C(C)(C)C)c(=O)c2c1.Cc1ccc2ccn(C(C)(C)C)c(=S)c2c1
InChIInChI=1S/C16H16Cl2N2OS2.2C14H17NO.2C14H17NS.C13H15NO.C13H15NS.2C12H14N2O.C12H14N2S.C12H15NOS.C12H15NS2.C11H13NOS.C11H13NS2/c1-16(2,3)20-9-10(5-4-7-19-14(21)13(17)18)11-6-8-23-12(11)15(20)22;1-10-5-6-12-11(9-10)7-8-15(13(12)16)14(2,3)4;1-10-5-6-11-7-8-15(14(2,3)4)13(16)12(11)9-10;1-10-5-6-12-11(9-10)7-8-15(13(12)16)14(2,3)4;1-10-5-6-11-7-8-15(14(2,3)4)13(16)12(11)9-10;2*1-13(2,3)14-9-8-10-6-4-5-7-11(10)12(14)15;1-12(2,3)14-8-6-10-9(11(14)15)5-4-7-13-10;1-12(2,3)14-8-6-9-5-4-7-13-10(9)11(14)15;1-12(2,3)14-8-6-10-9(11(14)15)5-4-7-13-10;1-8-7-9-10(14-8)5-6-13(11(9)15)12(2,3)4;1-8-7-9-10(15-8)5-6-13(11(9)14)12(2,3)4;2*1-11(2,3)12-6-4-8-5-7-14-9(8)10(12)13/h6,8-9,13H,7H2,1-3H3,(H,19,21);4*5-9H,1-4H3;2*4-9H,1-3H3;3*4-8H,1-3H3;2*5-7H,1-4H3;2*4-7H,1-3H3
InChIKeyFMGVPJBZSHQRPK-UHFFFAOYSA-N
XLogP49.69
TPSA252.35 Ų
H-Bond Donors1
H-Bond Acceptors37
Rotatable Bonds2
Heavy Atoms220
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003211.50
LogP ≤ 549.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-tert-butylisoquinoline-1-thione;2-tert-butylisoquinolin-1-one;5-tert-butyl-2-methylfuro[3,2-c]pyridine-4-thione;2-tert-butyl-6-methylisoquinoline-1-thione;2-tert-butyl-7-methylisoquinoline-1-thione;2-tert-butyl-6-methylisoquinolin-1-one;2-tert-butyl-7-methylisoquinolin-1-one;5-tert-butyl-2-methylthieno[3,2-c]pyridine-4-thione;6-tert-butyl-1,6-naphthyridine-5-thione;6-tert-butyl-1,6-naphthyridin-5-one;7-tert-butyl-1,7-naphthyridin-8-one;N-[3-(6-tert-butyl-7-sulfanylidenethieno[2,3-c]pyridin-4-yl)prop-2-ynyl]-2,2-dichloroacetamide;6-tert-butylthieno[2,3-c]pyridine-7-thione;6-tert-butylthieno[2,3-c]pyridin-7-one with MolForge

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Launch Full Analysis

Related Compounds

6-tert-butyl-7-methylidenefuro[2,3-c]pyridine;2-tert-butyl-1-methylideneisoquinoline;bis(6-tert-butyl-5-methylidene-1,6-naphthyridine);7-tert-butyl-8-methylidene-1,7-naphthyridine;bis(6-tert-butyl-7-methylidenethieno[2,3-c]pyridine);N-[3-(6-tert-butyl-7-methylidenethieno[2,3-c]pyridin-4-yl)prop-2-ynyl]-2,2-dichloroacetamide;2-tert-butyl-7-methylisoquinolin-1-one;5-tert-butyl-2-methyl-4-methylidenefuro[3,2-c]pyridine;2-tert-butyl-6-methyl-1-methylideneisoquinoline;5-tert-butyl-2-methyl-4-methylidenethieno[3,2-c]pyridine;5-tert-butylthieno[3,2-c]pyridin-4-one
CID 157229925
6-tert-butyl-7-methylidenefuro[2,3-c]pyridine;2-tert-butyl-1-methylideneisoquinoline;bis(6-tert-butyl-5-methylidene-1,6-naphthyridine);7-tert-butyl-8-methylidene-1,7-naphthyridine;5-tert-butyl-4-methylidenethieno[3,2-c]pyridine;bis(6-tert-butyl-7-methylidenethieno[2,3-c]pyridine);N-[3-(6-tert-butyl-7-methylidenethieno[2,3-c]pyridin-4-yl)prop-2-ynyl]-2,2-dichloroacetamide;2-tert-butyl-7-methylisoquinolin-1-one;5-tert-butyl-2-methyl-4-methylidenefuro[3,2-c]pyridine;2-tert-butyl-6-methyl-1-methylideneisoquinoline;5-tert-butyl-2-methyl-4-methylidenethieno[3,2-c]pyridine
CID 157995898
2-tert-butylisoquinoline-1-thione;2-tert-butylisoquinolin-1-one;5-tert-butyl-2-methylfuro[3,2-c]pyridine-4-thione;2-tert-butyl-6-methylisoquinoline-1-thione;2-tert-butyl-7-methylisoquinoline-1-thione;2-tert-butyl-6-methylisoquinolin-1-one;2-tert-butyl-7-methylisoquinolin-1-one;5-tert-butyl-2-methylthieno[3,2-c]pyridine-4-thione;6-tert-butyl-1,6-naphthyridine-5-thione;6-tert-butyl-1,6-naphthyridin-5-one;7-tert-butyl-1,7-naphthyridin-8-one;N-[3-(6-tert-butyl-7-sulfanylidenethieno[2,3-c]pyridin-4-yl)prop-2-ynyl]-2,2-dichloroacetamide;6-tert-butylthieno[2,3-c]pyridine-7-thione
CID 159829062
5-tert-butyl-2-methylfuro[3,2-c]pyridin-4-one;2-tert-butyl-6-methylisoquinolin-1-one;5-tert-butyl-2-methylthieno[3,2-c]pyridin-4-one;6-tert-butyl-1,6-naphthyridin-5-one;N-[3-(6-tert-butyl-7-oxothieno[2,3-c]pyridin-4-yl)prop-2-ynyl]-2,2-dichloroacetamide;6-tert-butylthieno[2,3-c]pyridin-7-one
CID 162225815

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylisoquinoline-1-thione;2-tert-butylisoquinolin-1-one;5-tert-butyl-2-methylfuro[3,2-c]pyridine-4-thione;2-tert-butyl-6-methylisoquinoline-1-thione;2-tert-butyl-7-methylisoquinoline-1-thione;2-tert-butyl-6-methylisoquinolin-1-one;2-tert-butyl-7-methylisoquinolin-1-one;5-tert-butyl-2-methylthieno[3,2-c]pyridine-4-thione;6-tert-butyl-1,6-naphthyridine-5-thione;6-tert-butyl-1,6-naphthyridin-5-one;7-tert-butyl-1,7-naphthyridin-8-one;N-[3-(6-tert-butyl-7-sulfanylidenethieno[2,3-c]pyridin-4-yl)prop-2-ynyl]-2,2-dichloroacetamide;6-tert-butylthieno[2,3-c]pyridine-7-thione;6-tert-butylthieno[2,3-c]pyridin-7-one?
The IUPAC name of 2-tert-butylisoquinoline-1-thione;2-tert-butylisoquinolin-1-one;5-tert-butyl-2-methylfuro[3,2-c]pyridine-4-thione;2-tert-butyl-6-methylisoquinoline-1-thione;2-tert-butyl-7-methylisoquinoline-1-thione;2-tert-butyl-6-methylisoquinolin-1-one;2-tert-butyl-7-methylisoquinolin-1-one;5-tert-butyl-2-methylthieno[3,2-c]pyridine-4-thione;6-tert-butyl-1,6-naphthyridine-5-thione;6-tert-butyl-1,6-naphthyridin-5-one;7-tert-butyl-1,7-naphthyridin-8-one;N-[3-(6-tert-butyl-7-sulfanylidenethieno[2,3-c]pyridin-4-yl)prop-2-ynyl]-2,2-dichloroacetamide;6-tert-butylthieno[2,3-c]pyridine-7-thione;6-tert-butylthieno[2,3-c]pyridin-7-one (CID 158075130) is 2-tert-butylisoquinoline-1-thione;2-tert-butylisoquinolin-1-one;5-tert-butyl-2-methylfuro[3,2-c]pyridine-4-thione;2-tert-butyl-6-methylisoquinoline-1-thione;2-tert-butyl-7-methylisoquinoline-1-thione;2-tert-butyl-6-methylisoquinolin-1-one;2-tert-butyl-7-methylisoquinolin-1-one;5-tert-butyl-2-methylthieno[3,2-c]pyridine-4-thione;6-tert-butyl-1,6-naphthyridine-5-thione;6-tert-butyl-1,6-naphthyridin-5-one;7-tert-butyl-1,7-naphthyridin-8-one;N-[3-(6-tert-butyl-7-sulfanylidenethieno[2,3-c]pyridin-4-yl)prop-2-ynyl]-2,2-dichloroacetamide;6-tert-butylthieno[2,3-c]pyridine-7-thione;6-tert-butylthieno[2,3-c]pyridin-7-one.
What is the SMILES notation for 2-tert-butylisoquinoline-1-thione;2-tert-butylisoquinolin-1-one;5-tert-butyl-2-methylfuro[3,2-c]pyridine-4-thione;2-tert-butyl-6-methylisoquinoline-1-thione;2-tert-butyl-7-methylisoquinoline-1-thione;2-tert-butyl-6-methylisoquinolin-1-one;2-tert-butyl-7-methylisoquinolin-1-one;5-tert-butyl-2-methylthieno[3,2-c]pyridine-4-thione;6-tert-butyl-1,6-naphthyridine-5-thione;6-tert-butyl-1,6-naphthyridin-5-one;7-tert-butyl-1,7-naphthyridin-8-one;N-[3-(6-tert-butyl-7-sulfanylidenethieno[2,3-c]pyridin-4-yl)prop-2-ynyl]-2,2-dichloroacetamide;6-tert-butylthieno[2,3-c]pyridine-7-thione;6-tert-butylthieno[2,3-c]pyridin-7-one?
The canonical SMILES for 2-tert-butylisoquinoline-1-thione;2-tert-butylisoquinolin-1-one;5-tert-butyl-2-methylfuro[3,2-c]pyridine-4-thione;2-tert-butyl-6-methylisoquinoline-1-thione;2-tert-butyl-7-methylisoquinoline-1-thione;2-tert-butyl-6-methylisoquinolin-1-one;2-tert-butyl-7-methylisoquinolin-1-one;5-tert-butyl-2-methylthieno[3,2-c]pyridine-4-thione;6-tert-butyl-1,6-naphthyridine-5-thione;6-tert-butyl-1,6-naphthyridin-5-one;7-tert-butyl-1,7-naphthyridin-8-one;N-[3-(6-tert-butyl-7-sulfanylidenethieno[2,3-c]pyridin-4-yl)prop-2-ynyl]-2,2-dichloroacetamide;6-tert-butylthieno[2,3-c]pyridine-7-thione;6-tert-butylthieno[2,3-c]pyridin-7-one is CC(C)(C)n1cc(C#CCNC(=O)C(Cl)Cl)c2ccsc2c1=S.CC(C)(C)n1ccc2ccccc2c1=O.CC(C)(C)n1ccc2ccccc2c1=S.CC(C)(C)n1ccc2cccnc2c1=O.CC(C)(C)n1ccc2ccsc2c1=O.CC(C)(C)n1ccc2ccsc2c1=S.CC(C)(C)n1ccc2ncccc2c1=O.CC(C)(C)n1ccc2ncccc2c1=S.Cc1cc2c(=S)n(C(C)(C)C)ccc2o1.Cc1cc2c(=S)n(C(C)(C)C)ccc2s1.Cc1ccc2c(=O)n(C(C)(C)C)ccc2c1.Cc1ccc2c(=S)n(C(C)(C)C)ccc2c1.Cc1ccc2ccn(C(C)(C)C)c(=O)c2c1.Cc1ccc2ccn(C(C)(C)C)c(=S)c2c1.
What is the InChIKey of 2-tert-butylisoquinoline-1-thione;2-tert-butylisoquinolin-1-one;5-tert-butyl-2-methylfuro[3,2-c]pyridine-4-thione;2-tert-butyl-6-methylisoquinoline-1-thione;2-tert-butyl-7-methylisoquinoline-1-thione;2-tert-butyl-6-methylisoquinolin-1-one;2-tert-butyl-7-methylisoquinolin-1-one;5-tert-butyl-2-methylthieno[3,2-c]pyridine-4-thione;6-tert-butyl-1,6-naphthyridine-5-thione;6-tert-butyl-1,6-naphthyridin-5-one;7-tert-butyl-1,7-naphthyridin-8-one;N-[3-(6-tert-butyl-7-sulfanylidenethieno[2,3-c]pyridin-4-yl)prop-2-ynyl]-2,2-dichloroacetamide;6-tert-butylthieno[2,3-c]pyridine-7-thione;6-tert-butylthieno[2,3-c]pyridin-7-one?
The InChIKey is FMGVPJBZSHQRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2OS2.2C14H17NO.2C14H17NS.C13H15NO.C13H15NS.2C12H14N2O.C12H14N2S.C12H15NOS.C12H15NS2.C11H13NOS.C11H13NS2/c1-16(2,3)20-9-10(5-4-7-19-14(21)13(17)18)11-6-8-23-12(11)15(20)22;1-10-5-6-12-11(9-10)7-8-15(13(12)16)14(2,3)4;1-10-5-6-11-7-8-15(14(2,3)4)13(16)12(11)9-10;1-10-5-6-12-11(9-10)7-8-15(13(12)16)14(2,3)4;1-10-5-6-11-7-8-15(14(2,3)4)13(16)12(11)9-10;2*1-13(2,3)14-9-8-10-6-4-5-7-11(10)12(14)15;1-12(2,3)14-8-6-10-9(11(14)15)5-4-7-13-10;1-12(2,3)14-8-6-9-5-4-7-13-10(9)11(14)15;1-12(2,3)14-8-6-10-9(11(14)15)5-4-7-13-10;1-8-7-9-10(14-8)5-6-13(11(9)15)12(2,3)4;1-8-7-9-10(15-8)5-6-13(11(9)14)12(2,3)4;2*1-11(2,3)12-6-4-8-5-7-14-9(8)10(12)13/h6,8-9,13H,7H2,1-3H3,(H,19,21);4*5-9H,1-4H3;2*4-9H,1-3H3;3*4-8H,1-3H3;2*5-7H,1-4H3;2*4-7H,1-3H3.
What are the key properties of 2-tert-butylisoquinoline-1-thione;2-tert-butylisoquinolin-1-one;5-tert-butyl-2-methylfuro[3,2-c]pyridine-4-thione;2-tert-butyl-6-methylisoquinoline-1-thione;2-tert-butyl-7-methylisoquinoline-1-thione;2-tert-butyl-6-methylisoquinolin-1-one;2-tert-butyl-7-methylisoquinolin-1-one;5-tert-butyl-2-methylthieno[3,2-c]pyridine-4-thione;6-tert-butyl-1,6-naphthyridine-5-thione;6-tert-butyl-1,6-naphthyridin-5-one;7-tert-butyl-1,7-naphthyridin-8-one;N-[3-(6-tert-butyl-7-sulfanylidenethieno[2,3-c]pyridin-4-yl)prop-2-ynyl]-2,2-dichloroacetamide;6-tert-butylthieno[2,3-c]pyridine-7-thione;6-tert-butylthieno[2,3-c]pyridin-7-one?
2-tert-butylisoquinoline-1-thione;2-tert-butylisoquinolin-1-one;5-tert-butyl-2-methylfuro[3,2-c]pyridine-4-thione;2-tert-butyl-6-methylisoquinoline-1-thione;2-tert-butyl-7-methylisoquinoline-1-thione;2-tert-butyl-6-methylisoquinolin-1-one;2-tert-butyl-7-methylisoquinolin-1-one;5-tert-butyl-2-methylthieno[3,2-c]pyridine-4-thione;6-tert-butyl-1,6-naphthyridine-5-thione;6-tert-butyl-1,6-naphthyridin-5-one;7-tert-butyl-1,7-naphthyridin-8-one;N-[3-(6-tert-butyl-7-sulfanylidenethieno[2,3-c]pyridin-4-yl)prop-2-ynyl]-2,2-dichloroacetamide;6-tert-butylthieno[2,3-c]pyridine-7-thione;6-tert-butylthieno[2,3-c]pyridin-7-one has a molecular weight of 3211.50 g/mol, XLogP of 49.69, 2 rotatable bonds, 1 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylisoquinoline-1-thione;2-tert-butylisoquinolin-1-one;5-tert-butyl-2-methylfuro[3,2-c]pyridine-4-thione;2-tert-butyl-6-methylisoquinoline-1-thione;2-tert-butyl-7-methylisoquinoline-1-thione;2-tert-butyl-6-methylisoquinolin-1-one;2-tert-butyl-7-methylisoquinolin-1-one;5-tert-butyl-2-methylthieno[3,2-c]pyridine-4-thione;6-tert-butyl-1,6-naphthyridine-5-thione;6-tert-butyl-1,6-naphthyridin-5-one;7-tert-butyl-1,7-naphthyridin-8-one;N-[3-(6-tert-butyl-7-sulfanylidenethieno[2,3-c]pyridin-4-yl)prop-2-ynyl]-2,2-dichloroacetamide;6-tert-butylthieno[2,3-c]pyridine-7-thione;6-tert-butylthieno[2,3-c]pyridin-7-one is sourced from PubChem (CID 158075130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).