5H-cyclohepta[b]thiophene

C9H8S — CID 123276768

IUPAC5H-cyclohepta[b]thiophene
SMILESC1=CCC=c2ccsc2=C1
InChIInChI=1S/C9H8S/c1-2-4-8-6-7-10-9(8)5-3-1/h1,3-7H,2H2
InChIKeyUVJCWRLMZAXEGA-UHFFFAOYSA-N
MW148.23 g/mol
LogP1.27
Rot. Bonds

About 5H-cyclohepta[b]thiophene

5H-cyclohepta[b]thiophene (PubChem CID 123276768) has the molecular formula C9H8S and a molecular weight of 148.23 g/mol. Its IUPAC name is 5H-cyclohepta[b]thiophene.

Molecular Properties

Compound Name5H-cyclohepta[b]thiophene
PubChem CID123276768
Molecular FormulaC9H8S
Molecular Weight148.23 g/mol
Exact Mass148.03
IUPAC Name5H-cyclohepta[b]thiophene
SMILESC1=CCC=c2ccsc2=C1
InChIInChI=1S/C9H8S/c1-2-4-8-6-7-10-9(8)5-3-1/h1,3-7H,2H2
InChIKeyUVJCWRLMZAXEGA-UHFFFAOYSA-N
XLogP1.27
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 ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-methylcyclohepta[b]thiophen-5-amine
CID 143260204
1,5-dihydrocyclohepta[b]pyrrole;ethane;molecular hydrogen
CID 142049480
1-benzothiophene;cyclopenta-1,3-diene
CID 145348127
3-propan-2-yl-8H-benzo[7]annulene
CID 145265248
5H-cyclohepta[d][1,3]thiazol-2-yl thiohypofluorite
CID 142992123
8H-cyclohepta[b]pyran-2-one
CID 143529641
ethane;2-methyl-7H-cyclohepta[g][1]benzothiole;propane
CID 166137414
(4Z,6Z)-8H-cyclopenta[8]annulene
CID 136672977
1-pyridin-2-yl-5H-cyclohepta[b]pyrrole
CID 142181898
3,8-dihydro-2H-cyclohepta[b][1,4]dioxine
CID 142930509
7H-cyclohepta[d][1,3]oxathiole
CID 143517051
ethane;7-thiophen-3-yl-3H-azepine
CID 143157760

Frequently Asked Questions

What is the IUPAC name of 5H-cyclohepta[b]thiophene?
The IUPAC name of 5H-cyclohepta[b]thiophene (CID 123276768) is 5H-cyclohepta[b]thiophene.
What is the SMILES notation for 5H-cyclohepta[b]thiophene?
The canonical SMILES for 5H-cyclohepta[b]thiophene is C1=CCC=c2ccsc2=C1.
What is the InChIKey of 5H-cyclohepta[b]thiophene?
The InChIKey is UVJCWRLMZAXEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8S/c1-2-4-8-6-7-10-9(8)5-3-1/h1,3-7H,2H2.
What are the key properties of 5H-cyclohepta[b]thiophene?
5H-cyclohepta[b]thiophene has a molecular weight of 148.23 g/mol, XLogP of 1.27, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-cyclohepta[b]thiophene is sourced from PubChem (CID 123276768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).