5-(4,5-dimethylthiophen-2-yl)-2,3-dimethylthieno[3,2-b]thiophene

C14H14S3 — CID 164971489

IUPAC5-(4,5-dimethylthiophen-2-yl)-2,3-dimethylthieno[3,2-b]thiophene
SMILESCc1cc(-c2cc3sc(C)c(C)c3s2)sc1C
InChIInChI=1S/C14H14S3/c1-7-5-11(15-9(7)3)12-6-13-14(17-12)8(2)10(4)16-13/h5-6H,1-4H3
InChIKeyNBULSJNVJBQURY-UHFFFAOYSA-N
MW278.47 g/mol
LogP5.92
Rot. Bonds1

About 5-(4,5-dimethylthiophen-2-yl)-2,3-dimethylthieno[3,2-b]thiophene

5-(4,5-dimethylthiophen-2-yl)-2,3-dimethylthieno[3,2-b]thiophene (PubChem CID 164971489) has the molecular formula C14H14S3 and a molecular weight of 278.47 g/mol. Its IUPAC name is 5-(4,5-dimethylthiophen-2-yl)-2,3-dimethylthieno[3,2-b]thiophene.

Molecular Properties

Compound Name5-(4,5-dimethylthiophen-2-yl)-2,3-dimethylthieno[3,2-b]thiophene
PubChem CID164971489
Molecular FormulaC14H14S3
Molecular Weight278.47 g/mol
Exact Mass278.03
IUPAC Name5-(4,5-dimethylthiophen-2-yl)-2,3-dimethylthieno[3,2-b]thiophene
SMILESCc1cc(-c2cc3sc(C)c(C)c3s2)sc1C
InChIInChI=1S/C14H14S3/c1-7-5-11(15-9(7)3)12-6-13-14(17-12)8(2)10(4)16-13/h5-6H,1-4H3
InChIKeyNBULSJNVJBQURY-UHFFFAOYSA-N
XLogP5.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.47
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4,5-dimethylthiophen-2-yl)-2,3-dimethylthieno[3,2-b]thiophene?
The IUPAC name of 5-(4,5-dimethylthiophen-2-yl)-2,3-dimethylthieno[3,2-b]thiophene (CID 164971489) is 5-(4,5-dimethylthiophen-2-yl)-2,3-dimethylthieno[3,2-b]thiophene.
What is the SMILES notation for 5-(4,5-dimethylthiophen-2-yl)-2,3-dimethylthieno[3,2-b]thiophene?
The canonical SMILES for 5-(4,5-dimethylthiophen-2-yl)-2,3-dimethylthieno[3,2-b]thiophene is Cc1cc(-c2cc3sc(C)c(C)c3s2)sc1C.
What is the InChIKey of 5-(4,5-dimethylthiophen-2-yl)-2,3-dimethylthieno[3,2-b]thiophene?
The InChIKey is NBULSJNVJBQURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14S3/c1-7-5-11(15-9(7)3)12-6-13-14(17-12)8(2)10(4)16-13/h5-6H,1-4H3.
What are the key properties of 5-(4,5-dimethylthiophen-2-yl)-2,3-dimethylthieno[3,2-b]thiophene?
5-(4,5-dimethylthiophen-2-yl)-2,3-dimethylthieno[3,2-b]thiophene has a molecular weight of 278.47 g/mol, XLogP of 5.92, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,5-dimethylthiophen-2-yl)-2,3-dimethylthieno[3,2-b]thiophene is sourced from PubChem (CID 164971489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).