3-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene

C10H14S — CID 18739069

IUPAC3-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene
SMILESCc1csc2c1CCCCC2
InChIInChI=1S/C10H14S/c1-8-7-11-10-6-4-2-3-5-9(8)10/h7H,2-6H2,1H3
InChIKeyNEFPYFJAXYEJHL-UHFFFAOYSA-N
MW166.29 g/mol
LogP3.33
Rot. Bonds

About 3-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene

3-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene (PubChem CID 18739069) has the molecular formula C10H14S and a molecular weight of 166.29 g/mol. Its IUPAC name is 3-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene.

Molecular Properties

Compound Name3-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene
PubChem CID18739069
Molecular FormulaC10H14S
Molecular Weight166.29 g/mol
Exact Mass166.08
IUPAC Name3-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene
SMILESCc1csc2c1CCCCC2
InChIInChI=1S/C10H14S/c1-8-7-11-10-6-4-2-3-5-9(8)10/h7H,2-6H2,1H3
InChIKeyNEFPYFJAXYEJHL-UHFFFAOYSA-N
XLogP3.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.29
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene?
The IUPAC name of 3-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene (CID 18739069) is 3-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene.
What is the SMILES notation for 3-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene?
The canonical SMILES for 3-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene is Cc1csc2c1CCCCC2.
What is the InChIKey of 3-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene?
The InChIKey is NEFPYFJAXYEJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14S/c1-8-7-11-10-6-4-2-3-5-9(8)10/h7H,2-6H2,1H3.
What are the key properties of 3-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene?
3-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene has a molecular weight of 166.29 g/mol, XLogP of 3.33, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene is sourced from PubChem (CID 18739069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).