2,5-bis(3-methyl-5-propan-2-ylthiophen-2-yl)thieno[3,2-b]thiophene

C22H24S4 — CID 176857241

IUPAC2,5-bis(3-methyl-5-propan-2-ylthiophen-2-yl)thieno[3,2-b]thiophene
SMILESCc1cc(C(C)C)sc1-c1cc2sc(-c3sc(C(C)C)cc3C)cc2s1
InChIInChI=1S/C22H24S4/c1-11(2)15-7-13(5)21(25-15)19-9-17-18(23-19)10-20(24-17)22-14(6)8-16(26-22)12(3)4/h7-12H,1-6H3
InChIKeyNUROVILAPNVMQI-UHFFFAOYSA-N
MW416.70 g/mol
LogP9.28
Rot. Bonds4

About 2,5-bis(3-methyl-5-propan-2-ylthiophen-2-yl)thieno[3,2-b]thiophene

2,5-bis(3-methyl-5-propan-2-ylthiophen-2-yl)thieno[3,2-b]thiophene (PubChem CID 176857241) has the molecular formula C22H24S4 and a molecular weight of 416.70 g/mol. Its IUPAC name is 2,5-bis(3-methyl-5-propan-2-ylthiophen-2-yl)thieno[3,2-b]thiophene.

Molecular Properties

Compound Name2,5-bis(3-methyl-5-propan-2-ylthiophen-2-yl)thieno[3,2-b]thiophene
PubChem CID176857241
Molecular FormulaC22H24S4
Molecular Weight416.70 g/mol
Exact Mass416.08
IUPAC Name2,5-bis(3-methyl-5-propan-2-ylthiophen-2-yl)thieno[3,2-b]thiophene
SMILESCc1cc(C(C)C)sc1-c1cc2sc(-c3sc(C(C)C)cc3C)cc2s1
InChIInChI=1S/C22H24S4/c1-11(2)15-7-13(5)21(25-15)19-9-17-18(23-19)10-20(24-17)22-14(6)8-16(26-22)12(3)4/h7-12H,1-6H3
InChIKeyNUROVILAPNVMQI-UHFFFAOYSA-N
XLogP9.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.70
LogP ≤ 59.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(3-methyl-5-propan-2-ylthiophen-2-yl)thieno[3,2-b]thiophene?
The IUPAC name of 2,5-bis(3-methyl-5-propan-2-ylthiophen-2-yl)thieno[3,2-b]thiophene (CID 176857241) is 2,5-bis(3-methyl-5-propan-2-ylthiophen-2-yl)thieno[3,2-b]thiophene.
What is the SMILES notation for 2,5-bis(3-methyl-5-propan-2-ylthiophen-2-yl)thieno[3,2-b]thiophene?
The canonical SMILES for 2,5-bis(3-methyl-5-propan-2-ylthiophen-2-yl)thieno[3,2-b]thiophene is Cc1cc(C(C)C)sc1-c1cc2sc(-c3sc(C(C)C)cc3C)cc2s1.
What is the InChIKey of 2,5-bis(3-methyl-5-propan-2-ylthiophen-2-yl)thieno[3,2-b]thiophene?
The InChIKey is NUROVILAPNVMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24S4/c1-11(2)15-7-13(5)21(25-15)19-9-17-18(23-19)10-20(24-17)22-14(6)8-16(26-22)12(3)4/h7-12H,1-6H3.
What are the key properties of 2,5-bis(3-methyl-5-propan-2-ylthiophen-2-yl)thieno[3,2-b]thiophene?
2,5-bis(3-methyl-5-propan-2-ylthiophen-2-yl)thieno[3,2-b]thiophene has a molecular weight of 416.70 g/mol, XLogP of 9.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(3-methyl-5-propan-2-ylthiophen-2-yl)thieno[3,2-b]thiophene is sourced from PubChem (CID 176857241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).