2-methyl-5-[5-(2-methylthieno[3,2-b]thiophen-5-yl)thiophen-2-yl]thieno[3,2-b]thiophene

C18H12S5 — CID 89495689

IUPAC2-methyl-5-[5-(2-methylthieno[3,2-b]thiophen-5-yl)thiophen-2-yl]thieno[3,2-b]thiophene
SMILESCc1cc2sc(-c3ccc(-c4cc5sc(C)cc5s4)s3)cc2s1
InChIInChI=1S/C18H12S5/c1-9-5-13-17(19-9)7-15(22-13)11-3-4-12(21-11)16-8-18-14(23-16)6-10(2)20-18/h3-8H,1-2H3
InChIKeyYZCCNRRBHVUFKZ-UHFFFAOYSA-N
MW388.63 g/mol
LogP8.25
Rot. Bonds2

About 2-methyl-5-[5-(2-methylthieno[3,2-b]thiophen-5-yl)thiophen-2-yl]thieno[3,2-b]thiophene

2-methyl-5-[5-(2-methylthieno[3,2-b]thiophen-5-yl)thiophen-2-yl]thieno[3,2-b]thiophene (PubChem CID 89495689) has the molecular formula C18H12S5 and a molecular weight of 388.63 g/mol. Its IUPAC name is 2-methyl-5-[5-(2-methylthieno[3,2-b]thiophen-5-yl)thiophen-2-yl]thieno[3,2-b]thiophene.

Molecular Properties

Compound Name2-methyl-5-[5-(2-methylthieno[3,2-b]thiophen-5-yl)thiophen-2-yl]thieno[3,2-b]thiophene
PubChem CID89495689
Molecular FormulaC18H12S5
Molecular Weight388.63 g/mol
Exact Mass387.95
IUPAC Name2-methyl-5-[5-(2-methylthieno[3,2-b]thiophen-5-yl)thiophen-2-yl]thieno[3,2-b]thiophene
SMILESCc1cc2sc(-c3ccc(-c4cc5sc(C)cc5s4)s3)cc2s1
InChIInChI=1S/C18H12S5/c1-9-5-13-17(19-9)7-15(22-13)11-3-4-12(21-11)16-8-18-14(23-16)6-10(2)20-18/h3-8H,1-2H3
InChIKeyYZCCNRRBHVUFKZ-UHFFFAOYSA-N
XLogP8.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.63
LogP ≤ 58.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[5-(2-methylthieno[3,2-b]thiophen-5-yl)thiophen-2-yl]thieno[3,2-b]thiophene?
The IUPAC name of 2-methyl-5-[5-(2-methylthieno[3,2-b]thiophen-5-yl)thiophen-2-yl]thieno[3,2-b]thiophene (CID 89495689) is 2-methyl-5-[5-(2-methylthieno[3,2-b]thiophen-5-yl)thiophen-2-yl]thieno[3,2-b]thiophene.
What is the SMILES notation for 2-methyl-5-[5-(2-methylthieno[3,2-b]thiophen-5-yl)thiophen-2-yl]thieno[3,2-b]thiophene?
The canonical SMILES for 2-methyl-5-[5-(2-methylthieno[3,2-b]thiophen-5-yl)thiophen-2-yl]thieno[3,2-b]thiophene is Cc1cc2sc(-c3ccc(-c4cc5sc(C)cc5s4)s3)cc2s1.
What is the InChIKey of 2-methyl-5-[5-(2-methylthieno[3,2-b]thiophen-5-yl)thiophen-2-yl]thieno[3,2-b]thiophene?
The InChIKey is YZCCNRRBHVUFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12S5/c1-9-5-13-17(19-9)7-15(22-13)11-3-4-12(21-11)16-8-18-14(23-16)6-10(2)20-18/h3-8H,1-2H3.
What are the key properties of 2-methyl-5-[5-(2-methylthieno[3,2-b]thiophen-5-yl)thiophen-2-yl]thieno[3,2-b]thiophene?
2-methyl-5-[5-(2-methylthieno[3,2-b]thiophen-5-yl)thiophen-2-yl]thieno[3,2-b]thiophene has a molecular weight of 388.63 g/mol, XLogP of 8.25, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[5-(2-methylthieno[3,2-b]thiophen-5-yl)thiophen-2-yl]thieno[3,2-b]thiophene is sourced from PubChem (CID 89495689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).