6-cyclohexyl-3,5-dimethylthieno[3,2-b]thiophene

C14H18S2 — CID 155308174

IUPAC6-cyclohexyl-3,5-dimethylthieno[3,2-b]thiophene
SMILESCc1sc2c(C)csc2c1C1CCCCC1
InChIInChI=1S/C14H18S2/c1-9-8-15-14-12(10(2)16-13(9)14)11-6-4-3-5-7-11/h8,11H,3-7H2,1-2H3
InChIKeyLQPJPVQDEQBEHH-UHFFFAOYSA-N
MW250.43 g/mol
LogP5.63
Rot. Bonds1

About 6-cyclohexyl-3,5-dimethylthieno[3,2-b]thiophene

6-cyclohexyl-3,5-dimethylthieno[3,2-b]thiophene (PubChem CID 155308174) has the molecular formula C14H18S2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 6-cyclohexyl-3,5-dimethylthieno[3,2-b]thiophene.

Molecular Properties

Compound Name6-cyclohexyl-3,5-dimethylthieno[3,2-b]thiophene
PubChem CID155308174
Molecular FormulaC14H18S2
Molecular Weight250.43 g/mol
Exact Mass250.08
IUPAC Name6-cyclohexyl-3,5-dimethylthieno[3,2-b]thiophene
SMILESCc1sc2c(C)csc2c1C1CCCCC1
InChIInChI=1S/C14H18S2/c1-9-8-15-14-12(10(2)16-13(9)14)11-6-4-3-5-7-11/h8,11H,3-7H2,1-2H3
InChIKeyLQPJPVQDEQBEHH-UHFFFAOYSA-N
XLogP5.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.43
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-3,5-dimethylthieno[3,2-b]thiophene?
The IUPAC name of 6-cyclohexyl-3,5-dimethylthieno[3,2-b]thiophene (CID 155308174) is 6-cyclohexyl-3,5-dimethylthieno[3,2-b]thiophene.
What is the SMILES notation for 6-cyclohexyl-3,5-dimethylthieno[3,2-b]thiophene?
The canonical SMILES for 6-cyclohexyl-3,5-dimethylthieno[3,2-b]thiophene is Cc1sc2c(C)csc2c1C1CCCCC1.
What is the InChIKey of 6-cyclohexyl-3,5-dimethylthieno[3,2-b]thiophene?
The InChIKey is LQPJPVQDEQBEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18S2/c1-9-8-15-14-12(10(2)16-13(9)14)11-6-4-3-5-7-11/h8,11H,3-7H2,1-2H3.
What are the key properties of 6-cyclohexyl-3,5-dimethylthieno[3,2-b]thiophene?
6-cyclohexyl-3,5-dimethylthieno[3,2-b]thiophene has a molecular weight of 250.43 g/mol, XLogP of 5.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-3,5-dimethylthieno[3,2-b]thiophene is sourced from PubChem (CID 155308174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).