2,5-bis(5-methylthiophen-2-yl)thieno[3,2-b]thiophene

C16H12S4 — CID 71014682

IUPAC2,5-bis(5-methylthiophen-2-yl)thieno[3,2-b]thiophene
SMILESCc1ccc(-c2cc3sc(-c4ccc(C)s4)cc3s2)s1
InChIInChI=1S/C16H12S4/c1-9-3-5-11(17-9)13-7-15-16(19-13)8-14(20-15)12-6-4-10(2)18-12/h3-8H,1-2H3
InChIKeyJYRDWHLPVIBCKX-UHFFFAOYSA-N
MW332.54 g/mol
LogP7.04
Rot. Bonds2

About 2,5-bis(5-methylthiophen-2-yl)thieno[3,2-b]thiophene

2,5-bis(5-methylthiophen-2-yl)thieno[3,2-b]thiophene (PubChem CID 71014682) has the molecular formula C16H12S4 and a molecular weight of 332.54 g/mol. Its IUPAC name is 2,5-bis(5-methylthiophen-2-yl)thieno[3,2-b]thiophene.

Molecular Properties

Compound Name2,5-bis(5-methylthiophen-2-yl)thieno[3,2-b]thiophene
PubChem CID71014682
Molecular FormulaC16H12S4
Molecular Weight332.54 g/mol
Exact Mass331.98
IUPAC Name2,5-bis(5-methylthiophen-2-yl)thieno[3,2-b]thiophene
SMILESCc1ccc(-c2cc3sc(-c4ccc(C)s4)cc3s2)s1
InChIInChI=1S/C16H12S4/c1-9-3-5-11(17-9)13-7-15-16(19-13)8-14(20-15)12-6-4-10(2)18-12/h3-8H,1-2H3
InChIKeyJYRDWHLPVIBCKX-UHFFFAOYSA-N
XLogP7.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.54
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(5-methylthiophen-2-yl)thieno[3,2-b]thiophene?
The IUPAC name of 2,5-bis(5-methylthiophen-2-yl)thieno[3,2-b]thiophene (CID 71014682) is 2,5-bis(5-methylthiophen-2-yl)thieno[3,2-b]thiophene.
What is the SMILES notation for 2,5-bis(5-methylthiophen-2-yl)thieno[3,2-b]thiophene?
The canonical SMILES for 2,5-bis(5-methylthiophen-2-yl)thieno[3,2-b]thiophene is Cc1ccc(-c2cc3sc(-c4ccc(C)s4)cc3s2)s1.
What is the InChIKey of 2,5-bis(5-methylthiophen-2-yl)thieno[3,2-b]thiophene?
The InChIKey is JYRDWHLPVIBCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12S4/c1-9-3-5-11(17-9)13-7-15-16(19-13)8-14(20-15)12-6-4-10(2)18-12/h3-8H,1-2H3.
What are the key properties of 2,5-bis(5-methylthiophen-2-yl)thieno[3,2-b]thiophene?
2,5-bis(5-methylthiophen-2-yl)thieno[3,2-b]thiophene has a molecular weight of 332.54 g/mol, XLogP of 7.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(5-methylthiophen-2-yl)thieno[3,2-b]thiophene is sourced from PubChem (CID 71014682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).