2,6-dimethyl-5,6-dihydro-4H-cyclohepta[b]thiophene

C11H14S — CID 155395542

IUPAC2,6-dimethyl-5,6-dihydro-4H-cyclohepta[b]thiophene
SMILESCc1cc2c(s1)C=CC(C)CC2
InChIInChI=1S/C11H14S/c1-8-3-5-10-7-9(2)12-11(10)6-4-8/h4,6-8H,3,5H2,1-2H3
InChIKeyNJYNUILJFUKIHV-UHFFFAOYSA-N
MW178.30 g/mol
LogP3.65
Rot. Bonds

About 2,6-dimethyl-5,6-dihydro-4H-cyclohepta[b]thiophene

2,6-dimethyl-5,6-dihydro-4H-cyclohepta[b]thiophene (PubChem CID 155395542) has the molecular formula C11H14S and a molecular weight of 178.30 g/mol. Its IUPAC name is 2,6-dimethyl-5,6-dihydro-4H-cyclohepta[b]thiophene.

Molecular Properties

Compound Name2,6-dimethyl-5,6-dihydro-4H-cyclohepta[b]thiophene
PubChem CID155395542
Molecular FormulaC11H14S
Molecular Weight178.30 g/mol
Exact Mass178.08
IUPAC Name2,6-dimethyl-5,6-dihydro-4H-cyclohepta[b]thiophene
SMILESCc1cc2c(s1)C=CC(C)CC2
InChIInChI=1S/C11H14S/c1-8-3-5-10-7-9(2)12-11(10)6-4-8/h4,6-8H,3,5H2,1-2H3
InChIKeyNJYNUILJFUKIHV-UHFFFAOYSA-N
XLogP3.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.30
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-5,6-dihydro-4H-cyclohepta[b]thiophene?
The IUPAC name of 2,6-dimethyl-5,6-dihydro-4H-cyclohepta[b]thiophene (CID 155395542) is 2,6-dimethyl-5,6-dihydro-4H-cyclohepta[b]thiophene.
What is the SMILES notation for 2,6-dimethyl-5,6-dihydro-4H-cyclohepta[b]thiophene?
The canonical SMILES for 2,6-dimethyl-5,6-dihydro-4H-cyclohepta[b]thiophene is Cc1cc2c(s1)C=CC(C)CC2.
What is the InChIKey of 2,6-dimethyl-5,6-dihydro-4H-cyclohepta[b]thiophene?
The InChIKey is NJYNUILJFUKIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14S/c1-8-3-5-10-7-9(2)12-11(10)6-4-8/h4,6-8H,3,5H2,1-2H3.
What are the key properties of 2,6-dimethyl-5,6-dihydro-4H-cyclohepta[b]thiophene?
2,6-dimethyl-5,6-dihydro-4H-cyclohepta[b]thiophene has a molecular weight of 178.30 g/mol, XLogP of 3.65, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-5,6-dihydro-4H-cyclohepta[b]thiophene is sourced from PubChem (CID 155395542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).