5-tert-butyl-6-methylthieno[3,2-b]thiophene;ethane;5-ethyl-2,6-dimethylthieno[3,2-b]thiophene;5-ethyl-3,6-dimethylthieno[3,2-b]thiophene;5-ethyl-6-methylthieno[3,2-b]thiophene;6-methyl-5-propan-2-ylthieno[3,2-b]thiophene

C60H90S10 — CID 161050101

IUPAC5-tert-butyl-6-methylthieno[3,2-b]thiophene;ethane;5-ethyl-2,6-dimethylthieno[3,2-b]thiophene;5-ethyl-3,6-dimethylthieno[3,2-b]thiophene;5-ethyl-6-methylthieno[3,2-b]thiophene;6-methyl-5-propan-2-ylthieno[3,2-b]thiophene
SMILESCC.CC.CC.CC.CC.CCc1sc2c(C)csc2c1C.CCc1sc2cc(C)sc2c1C.CCc1sc2ccsc2c1C.Cc1c(C(C)(C)C)sc2ccsc12.Cc1c(C(C)C)sc2ccsc12
InChIInChI=1S/C11H14S2.3C10H12S2.C9H10S2.5C2H6/c1-7-9-8(5-6-12-9)13-10(7)11(2,3)4;1-6(2)9-7(3)10-8(12-9)4-5-11-10;1-4-8-7(3)10-9(12-8)6(2)5-11-10;1-4-8-7(3)10-9(12-8)5-6(2)11-10;1-3-7-6(2)9-8(11-7)4-5-10-9;5*1-2/h5-6H,1-4H3;4-6H,1-3H3;2*5H,4H2,1-3H3;4-5H,3H2,1-2H3;5*1-2H3
InChIKeyUCAGRCMASRRFRD-UHFFFAOYSA-N
MW1132.05 g/mol
LogP26.21
Rot. Bonds4

About 5-tert-butyl-6-methylthieno[3,2-b]thiophene;ethane;5-ethyl-2,6-dimethylthieno[3,2-b]thiophene;5-ethyl-3,6-dimethylthieno[3,2-b]thiophene;5-ethyl-6-methylthieno[3,2-b]thiophene;6-methyl-5-propan-2-ylthieno[3,2-b]thiophene

5-tert-butyl-6-methylthieno[3,2-b]thiophene;ethane;5-ethyl-2,6-dimethylthieno[3,2-b]thiophene;5-ethyl-3,6-dimethylthieno[3,2-b]thiophene;5-ethyl-6-methylthieno[3,2-b]thiophene;6-methyl-5-propan-2-ylthieno[3,2-b]thiophene (PubChem CID 161050101) has the molecular formula C60H90S10 and a molecular weight of 1132.05 g/mol. Its IUPAC name is 5-tert-butyl-6-methylthieno[3,2-b]thiophene;ethane;5-ethyl-2,6-dimethylthieno[3,2-b]thiophene;5-ethyl-3,6-dimethylthieno[3,2-b]thiophene;5-ethyl-6-methylthieno[3,2-b]thiophene;6-methyl-5-propan-2-ylthieno[3,2-b]thiophene.

Molecular Properties

Compound Name5-tert-butyl-6-methylthieno[3,2-b]thiophene;ethane;5-ethyl-2,6-dimethylthieno[3,2-b]thiophene;5-ethyl-3,6-dimethylthieno[3,2-b]thiophene;5-ethyl-6-methylthieno[3,2-b]thiophene;6-methyl-5-propan-2-ylthieno[3,2-b]thiophene
PubChem CID161050101
Molecular FormulaC60H90S10
Molecular Weight1132.05 g/mol
Exact Mass1130.42
IUPAC Name5-tert-butyl-6-methylthieno[3,2-b]thiophene;ethane;5-ethyl-2,6-dimethylthieno[3,2-b]thiophene;5-ethyl-3,6-dimethylthieno[3,2-b]thiophene;5-ethyl-6-methylthieno[3,2-b]thiophene;6-methyl-5-propan-2-ylthieno[3,2-b]thiophene
SMILESCC.CC.CC.CC.CC.CCc1sc2c(C)csc2c1C.CCc1sc2cc(C)sc2c1C.CCc1sc2ccsc2c1C.Cc1c(C(C)(C)C)sc2ccsc12.Cc1c(C(C)C)sc2ccsc12
InChIInChI=1S/C11H14S2.3C10H12S2.C9H10S2.5C2H6/c1-7-9-8(5-6-12-9)13-10(7)11(2,3)4;1-6(2)9-7(3)10-8(12-9)4-5-11-10;1-4-8-7(3)10-9(12-8)6(2)5-11-10;1-4-8-7(3)10-9(12-8)5-6(2)11-10;1-3-7-6(2)9-8(11-7)4-5-10-9;5*1-2/h5-6H,1-4H3;4-6H,1-3H3;2*5H,4H2,1-3H3;4-5H,3H2,1-2H3;5*1-2H3
InChIKeyUCAGRCMASRRFRD-UHFFFAOYSA-N
XLogP26.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001132.05
LogP ≤ 526.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 5-tert-butyl-6-methylthieno[3,2-b]thiophene;ethane;5-ethyl-2,6-dimethylthieno[3,2-b]thiophene;5-ethyl-3,6-dimethylthieno[3,2-b]thiophene;5-ethyl-6-methylthieno[3,2-b]thiophene;6-methyl-5-propan-2-ylthieno[3,2-b]thiophene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-6-methylthieno[3,2-b]thiophene;ethane;5-ethyl-2,6-dimethylthieno[3,2-b]thiophene;5-ethyl-3,6-dimethylthieno[3,2-b]thiophene;5-ethyl-6-methylthieno[3,2-b]thiophene;6-methyl-5-propan-2-ylthieno[3,2-b]thiophene?
The IUPAC name of 5-tert-butyl-6-methylthieno[3,2-b]thiophene;ethane;5-ethyl-2,6-dimethylthieno[3,2-b]thiophene;5-ethyl-3,6-dimethylthieno[3,2-b]thiophene;5-ethyl-6-methylthieno[3,2-b]thiophene;6-methyl-5-propan-2-ylthieno[3,2-b]thiophene (CID 161050101) is 5-tert-butyl-6-methylthieno[3,2-b]thiophene;ethane;5-ethyl-2,6-dimethylthieno[3,2-b]thiophene;5-ethyl-3,6-dimethylthieno[3,2-b]thiophene;5-ethyl-6-methylthieno[3,2-b]thiophene;6-methyl-5-propan-2-ylthieno[3,2-b]thiophene.
What is the SMILES notation for 5-tert-butyl-6-methylthieno[3,2-b]thiophene;ethane;5-ethyl-2,6-dimethylthieno[3,2-b]thiophene;5-ethyl-3,6-dimethylthieno[3,2-b]thiophene;5-ethyl-6-methylthieno[3,2-b]thiophene;6-methyl-5-propan-2-ylthieno[3,2-b]thiophene?
The canonical SMILES for 5-tert-butyl-6-methylthieno[3,2-b]thiophene;ethane;5-ethyl-2,6-dimethylthieno[3,2-b]thiophene;5-ethyl-3,6-dimethylthieno[3,2-b]thiophene;5-ethyl-6-methylthieno[3,2-b]thiophene;6-methyl-5-propan-2-ylthieno[3,2-b]thiophene is CC.CC.CC.CC.CC.CCc1sc2c(C)csc2c1C.CCc1sc2cc(C)sc2c1C.CCc1sc2ccsc2c1C.Cc1c(C(C)(C)C)sc2ccsc12.Cc1c(C(C)C)sc2ccsc12.
What is the InChIKey of 5-tert-butyl-6-methylthieno[3,2-b]thiophene;ethane;5-ethyl-2,6-dimethylthieno[3,2-b]thiophene;5-ethyl-3,6-dimethylthieno[3,2-b]thiophene;5-ethyl-6-methylthieno[3,2-b]thiophene;6-methyl-5-propan-2-ylthieno[3,2-b]thiophene?
The InChIKey is UCAGRCMASRRFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14S2.3C10H12S2.C9H10S2.5C2H6/c1-7-9-8(5-6-12-9)13-10(7)11(2,3)4;1-6(2)9-7(3)10-8(12-9)4-5-11-10;1-4-8-7(3)10-9(12-8)6(2)5-11-10;1-4-8-7(3)10-9(12-8)5-6(2)11-10;1-3-7-6(2)9-8(11-7)4-5-10-9;5*1-2/h5-6H,1-4H3;4-6H,1-3H3;2*5H,4H2,1-3H3;4-5H,3H2,1-2H3;5*1-2H3.
What are the key properties of 5-tert-butyl-6-methylthieno[3,2-b]thiophene;ethane;5-ethyl-2,6-dimethylthieno[3,2-b]thiophene;5-ethyl-3,6-dimethylthieno[3,2-b]thiophene;5-ethyl-6-methylthieno[3,2-b]thiophene;6-methyl-5-propan-2-ylthieno[3,2-b]thiophene?
5-tert-butyl-6-methylthieno[3,2-b]thiophene;ethane;5-ethyl-2,6-dimethylthieno[3,2-b]thiophene;5-ethyl-3,6-dimethylthieno[3,2-b]thiophene;5-ethyl-6-methylthieno[3,2-b]thiophene;6-methyl-5-propan-2-ylthieno[3,2-b]thiophene has a molecular weight of 1132.05 g/mol, XLogP of 26.21, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-6-methylthieno[3,2-b]thiophene;ethane;5-ethyl-2,6-dimethylthieno[3,2-b]thiophene;5-ethyl-3,6-dimethylthieno[3,2-b]thiophene;5-ethyl-6-methylthieno[3,2-b]thiophene;6-methyl-5-propan-2-ylthieno[3,2-b]thiophene is sourced from PubChem (CID 161050101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).