5H-thieno[2,3-c][2]benzothiepin-10-one

C12H8OS2 — CID 827078

IUPAC5H-thieno[2,3-c][2]benzothiepin-10-one
SMILESO=C1c2ccccc2CSc2sccc21
InChIInChI=1S/C12H8OS2/c13-11-9-4-2-1-3-8(9)7-15-12-10(11)5-6-14-12/h1-6H,7H2
InChIKeyFHHAGNSMAZXQMA-UHFFFAOYSA-N
MW232.33 g/mol
LogP3.58
Rot. Bonds

About 5H-thieno[2,3-c][2]benzothiepin-10-one

5H-thieno[2,3-c][2]benzothiepin-10-one (PubChem CID 827078) has the molecular formula C12H8OS2 and a molecular weight of 232.33 g/mol. Its IUPAC name is 5H-thieno[2,3-c][2]benzothiepin-10-one.

Molecular Properties

Compound Name5H-thieno[2,3-c][2]benzothiepin-10-one
PubChem CID827078
Molecular FormulaC12H8OS2
Molecular Weight232.33 g/mol
Exact Mass232.00
IUPAC Name5H-thieno[2,3-c][2]benzothiepin-10-one
SMILESO=C1c2ccccc2CSc2sccc21
InChIInChI=1S/C12H8OS2/c13-11-9-4-2-1-3-8(9)7-15-12-10(11)5-6-14-12/h1-6H,7H2
InChIKeyFHHAGNSMAZXQMA-UHFFFAOYSA-N
XLogP3.58
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5H-thieno[2,3-c][2]benzothiepin-10-one?
The IUPAC name of 5H-thieno[2,3-c][2]benzothiepin-10-one (CID 827078) is 5H-thieno[2,3-c][2]benzothiepin-10-one.
What is the SMILES notation for 5H-thieno[2,3-c][2]benzothiepin-10-one?
The canonical SMILES for 5H-thieno[2,3-c][2]benzothiepin-10-one is O=C1c2ccccc2CSc2sccc21.
What is the InChIKey of 5H-thieno[2,3-c][2]benzothiepin-10-one?
The InChIKey is FHHAGNSMAZXQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8OS2/c13-11-9-4-2-1-3-8(9)7-15-12-10(11)5-6-14-12/h1-6H,7H2.
What are the key properties of 5H-thieno[2,3-c][2]benzothiepin-10-one?
5H-thieno[2,3-c][2]benzothiepin-10-one has a molecular weight of 232.33 g/mol, XLogP of 3.58, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-thieno[2,3-c][2]benzothiepin-10-one is sourced from PubChem (CID 827078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).