2H-cyclohepta[b]thiophene 1-oxide

C9H8OS — CID 141147812

IUPAC2H-cyclohepta[b]thiophene 1-oxide
SMILESO=S1CC=C2C=CC=CC=C21
InChIInChI=1S/C9H8OS/c10-11-7-6-8-4-2-1-3-5-9(8)11/h1-6H,7H2
InChIKeyANLJOHNBBSNMIV-UHFFFAOYSA-N
MW164.23 g/mol
LogP1.68
Rot. Bonds

About 2H-cyclohepta[b]thiophene 1-oxide

2H-cyclohepta[b]thiophene 1-oxide (PubChem CID 141147812) has the molecular formula C9H8OS and a molecular weight of 164.23 g/mol. Its IUPAC name is 2H-cyclohepta[b]thiophene 1-oxide.

Molecular Properties

Compound Name2H-cyclohepta[b]thiophene 1-oxide
PubChem CID141147812
Molecular FormulaC9H8OS
Molecular Weight164.23 g/mol
Exact Mass164.03
IUPAC Name2H-cyclohepta[b]thiophene 1-oxide
SMILESO=S1CC=C2C=CC=CC=C21
InChIInChI=1S/C9H8OS/c10-11-7-6-8-4-2-1-3-5-9(8)11/h1-6H,7H2
InChIKeyANLJOHNBBSNMIV-UHFFFAOYSA-N
XLogP1.68
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2H-cyclohepta[b]thiophene 1-oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bicyclo[7.7.0]hexadeca-1,3,5,7,9,11,13,15-octaene
CID 54413648
5λ4-thia-1,8-diazatricyclo[7.4.0.02,6]trideca-2,6,8,10,12-pentaene 5-oxide
CID 70528787
lithium 1,2-dihydroazulen-1-ide
CID 164901543
bicyclo[9.1.0]dodeca-1(12),2,4,6,8,10-hexaene
CID 123639950
2H-cyclohepta[b]thiophene
CID 22111386
bicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaen-4-one
CID 2751995
1,2-dihydroazulene;fulvene
CID 173400201
2-(1H-benzo[7]annulen-2-yloxy)-1H-benzo[7]annulene
CID 22397631
(4Z,6Z)-8H-cyclopenta[8]annulene
CID 136672977
(2Z,4Z,6Z,8Z,10E)-bicyclo[9.2.2]pentadeca-1(14),2,4,6,8,10,12-heptaene
CID 163765454
1,4-di(cyclooctatetraenyl)naphthalene
CID 90786287
1H-benzo[7]annulene-1-carboxylic acid
CID 140604884

Frequently Asked Questions

What is the IUPAC name of 2H-cyclohepta[b]thiophene 1-oxide?
The IUPAC name of 2H-cyclohepta[b]thiophene 1-oxide (CID 141147812) is 2H-cyclohepta[b]thiophene 1-oxide.
What is the SMILES notation for 2H-cyclohepta[b]thiophene 1-oxide?
The canonical SMILES for 2H-cyclohepta[b]thiophene 1-oxide is O=S1CC=C2C=CC=CC=C21.
What is the InChIKey of 2H-cyclohepta[b]thiophene 1-oxide?
The InChIKey is ANLJOHNBBSNMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8OS/c10-11-7-6-8-4-2-1-3-5-9(8)11/h1-6H,7H2.
What are the key properties of 2H-cyclohepta[b]thiophene 1-oxide?
2H-cyclohepta[b]thiophene 1-oxide has a molecular weight of 164.23 g/mol, XLogP of 1.68, 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 1-oxide is sourced from PubChem (CID 141147812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).