thieno[3,2-b]azepin-8-one

C8H5NOS — CID 140983477

IUPACthieno[3,2-b]azepin-8-one
SMILESO=c1cccnc2ccsc12
InChIInChI=1S/C8H5NOS/c10-7-2-1-4-9-6-3-5-11-8(6)7/h1-5H
InChIKeyUSGLNXQBKGGOJB-UHFFFAOYSA-N
MW163.20 g/mol
LogP1.66
Rot. Bonds

About thieno[3,2-b]azepin-8-one

thieno[3,2-b]azepin-8-one (PubChem CID 140983477) has the molecular formula C8H5NOS and a molecular weight of 163.20 g/mol. Its IUPAC name is thieno[3,2-b]azepin-8-one.

Molecular Properties

Compound Namethieno[3,2-b]azepin-8-one
PubChem CID140983477
Molecular FormulaC8H5NOS
Molecular Weight163.20 g/mol
Exact Mass163.01
IUPAC Namethieno[3,2-b]azepin-8-one
SMILESO=c1cccnc2ccsc12
InChIInChI=1S/C8H5NOS/c10-7-2-1-4-9-6-3-5-11-8(6)7/h1-5H
InChIKeyUSGLNXQBKGGOJB-UHFFFAOYSA-N
XLogP1.66
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.20
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of thieno[3,2-b]azepin-8-one?
The IUPAC name of thieno[3,2-b]azepin-8-one (CID 140983477) is thieno[3,2-b]azepin-8-one.
What is the SMILES notation for thieno[3,2-b]azepin-8-one?
The canonical SMILES for thieno[3,2-b]azepin-8-one is O=c1cccnc2ccsc12.
What is the InChIKey of thieno[3,2-b]azepin-8-one?
The InChIKey is USGLNXQBKGGOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NOS/c10-7-2-1-4-9-6-3-5-11-8(6)7/h1-5H.
What are the key properties of thieno[3,2-b]azepin-8-one?
thieno[3,2-b]azepin-8-one has a molecular weight of 163.20 g/mol, XLogP of 1.66, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for thieno[3,2-b]azepin-8-one is sourced from PubChem (CID 140983477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).