thiopyrano[3,2-b][1,4]benzoxazine

C11H7NOS — CID 175335166

IUPACthiopyrano[3,2-b][1,4]benzoxazine
SMILESC1=CSC2=Nc3ccccc3OC2=C1
InChIInChI=1S/C11H7NOS/c1-2-5-9-8(4-1)12-11-10(13-9)6-3-7-14-11/h1-7H
InChIKeyYDMWKSJQJDWRAX-UHFFFAOYSA-N
MW201.25 g/mol
LogP3.25
Rot. Bonds

About thiopyrano[3,2-b][1,4]benzoxazine

thiopyrano[3,2-b][1,4]benzoxazine (PubChem CID 175335166) has the molecular formula C11H7NOS and a molecular weight of 201.25 g/mol. Its IUPAC name is thiopyrano[3,2-b][1,4]benzoxazine.

Molecular Properties

Compound Namethiopyrano[3,2-b][1,4]benzoxazine
PubChem CID175335166
Molecular FormulaC11H7NOS
Molecular Weight201.25 g/mol
Exact Mass201.02
IUPAC Namethiopyrano[3,2-b][1,4]benzoxazine
SMILESC1=CSC2=Nc3ccccc3OC2=C1
InChIInChI=1S/C11H7NOS/c1-2-5-9-8(4-1)12-11-10(13-9)6-3-7-14-11/h1-7H
InChIKeyYDMWKSJQJDWRAX-UHFFFAOYSA-N
XLogP3.25
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of thiopyrano[3,2-b][1,4]benzoxazine?
The IUPAC name of thiopyrano[3,2-b][1,4]benzoxazine (CID 175335166) is thiopyrano[3,2-b][1,4]benzoxazine.
What is the SMILES notation for thiopyrano[3,2-b][1,4]benzoxazine?
The canonical SMILES for thiopyrano[3,2-b][1,4]benzoxazine is C1=CSC2=Nc3ccccc3OC2=C1.
What is the InChIKey of thiopyrano[3,2-b][1,4]benzoxazine?
The InChIKey is YDMWKSJQJDWRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NOS/c1-2-5-9-8(4-1)12-11-10(13-9)6-3-7-14-11/h1-7H.
What are the key properties of thiopyrano[3,2-b][1,4]benzoxazine?
thiopyrano[3,2-b][1,4]benzoxazine has a molecular weight of 201.25 g/mol, XLogP of 3.25, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for thiopyrano[3,2-b][1,4]benzoxazine is sourced from PubChem (CID 175335166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).