2H-cyclohepta[b]thiophene

C9H8S — CID 22111386

IUPAC2H-cyclohepta[b]thiophene
SMILESC1=CC=C2SCC=C2C=C1
InChIInChI=1S/C9H8S/c1-2-4-8-6-7-10-9(8)5-3-1/h1-6H,7H2
InChIKeyNFHHBIGYIAIGFH-UHFFFAOYSA-N
MW148.23 g/mol
LogP2.67
Rot. Bonds

About 2H-cyclohepta[b]thiophene

2H-cyclohepta[b]thiophene (PubChem CID 22111386) has the molecular formula C9H8S and a molecular weight of 148.23 g/mol. Its IUPAC name is 2H-cyclohepta[b]thiophene.

Molecular Properties

Compound Name2H-cyclohepta[b]thiophene
PubChem CID22111386
Molecular FormulaC9H8S
Molecular Weight148.23 g/mol
Exact Mass148.03
IUPAC Name2H-cyclohepta[b]thiophene
SMILESC1=CC=C2SCC=C2C=C1
InChIInChI=1S/C9H8S/c1-2-4-8-6-7-10-9(8)5-3-1/h1-6H,7H2
InChIKeyNFHHBIGYIAIGFH-UHFFFAOYSA-N
XLogP2.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2H-cyclohepta[b]thiophene?
The IUPAC name of 2H-cyclohepta[b]thiophene (CID 22111386) is 2H-cyclohepta[b]thiophene.
What is the SMILES notation for 2H-cyclohepta[b]thiophene?
The canonical SMILES for 2H-cyclohepta[b]thiophene is C1=CC=C2SCC=C2C=C1.
What is the InChIKey of 2H-cyclohepta[b]thiophene?
The InChIKey is NFHHBIGYIAIGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8S/c1-2-4-8-6-7-10-9(8)5-3-1/h1-6H,7H2.
What are the key properties of 2H-cyclohepta[b]thiophene?
2H-cyclohepta[b]thiophene has a molecular weight of 148.23 g/mol, XLogP of 2.67, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-cyclohepta[b]thiophene is sourced from PubChem (CID 22111386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).