thieno[3,2-d][1]benzoxepine

C12H8OS — CID 142705820

IUPACthieno[3,2-d][1]benzoxepine
SMILESC1=Cc2ccsc2-c2ccccc2O1
InChIInChI=1S/C12H8OS/c1-2-4-11-10(3-1)12-9(5-7-13-11)6-8-14-12/h1-8H
InChIKeyJNDKORCRIBZVGK-UHFFFAOYSA-N
MW200.26 g/mol
LogP3.78
Rot. Bonds

About thieno[3,2-d][1]benzoxepine

thieno[3,2-d][1]benzoxepine (PubChem CID 142705820) has the molecular formula C12H8OS and a molecular weight of 200.26 g/mol. Its IUPAC name is thieno[3,2-d][1]benzoxepine.

Molecular Properties

Compound Namethieno[3,2-d][1]benzoxepine
PubChem CID142705820
Molecular FormulaC12H8OS
Molecular Weight200.26 g/mol
Exact Mass200.03
IUPAC Namethieno[3,2-d][1]benzoxepine
SMILESC1=Cc2ccsc2-c2ccccc2O1
InChIInChI=1S/C12H8OS/c1-2-4-11-10(3-1)12-9(5-7-13-11)6-8-14-12/h1-8H
InChIKeyJNDKORCRIBZVGK-UHFFFAOYSA-N
XLogP3.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of thieno[3,2-d][1]benzoxepine?
The IUPAC name of thieno[3,2-d][1]benzoxepine (CID 142705820) is thieno[3,2-d][1]benzoxepine.
What is the SMILES notation for thieno[3,2-d][1]benzoxepine?
The canonical SMILES for thieno[3,2-d][1]benzoxepine is C1=Cc2ccsc2-c2ccccc2O1.
What is the InChIKey of thieno[3,2-d][1]benzoxepine?
The InChIKey is JNDKORCRIBZVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8OS/c1-2-4-11-10(3-1)12-9(5-7-13-11)6-8-14-12/h1-8H.
What are the key properties of thieno[3,2-d][1]benzoxepine?
thieno[3,2-d][1]benzoxepine has a molecular weight of 200.26 g/mol, XLogP of 3.78, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for thieno[3,2-d][1]benzoxepine is sourced from PubChem (CID 142705820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).