7H-thiopyrano[4,3-d][1,2]oxazol-4-one

C6H5NO2S — CID 13381535

IUPAC7H-thiopyrano[4,3-d][1,2]oxazol-4-one
SMILESO=C1CSCc2oncc21
InChIInChI=1S/C6H5NO2S/c8-5-2-10-3-6-4(5)1-7-9-6/h1H,2-3H2
InChIKeyMVEFELQDJZMBII-UHFFFAOYSA-N
MW155.18 g/mol
LogP1.10
Rot. Bonds

About 7H-thiopyrano[4,3-d][1,2]oxazol-4-one

7H-thiopyrano[4,3-d][1,2]oxazol-4-one (PubChem CID 13381535) has the molecular formula C6H5NO2S and a molecular weight of 155.18 g/mol. Its IUPAC name is 7H-thiopyrano[4,3-d][1,2]oxazol-4-one.

Molecular Properties

Compound Name7H-thiopyrano[4,3-d][1,2]oxazol-4-one
PubChem CID13381535
Molecular FormulaC6H5NO2S
Molecular Weight155.18 g/mol
Exact Mass155.00
IUPAC Name7H-thiopyrano[4,3-d][1,2]oxazol-4-one
SMILESO=C1CSCc2oncc21
InChIInChI=1S/C6H5NO2S/c8-5-2-10-3-6-4(5)1-7-9-6/h1H,2-3H2
InChIKeyMVEFELQDJZMBII-UHFFFAOYSA-N
XLogP1.10
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.18
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7H-thiopyrano[4,3-d][1,2]oxazol-4-one?
The IUPAC name of 7H-thiopyrano[4,3-d][1,2]oxazol-4-one (CID 13381535) is 7H-thiopyrano[4,3-d][1,2]oxazol-4-one.
What is the SMILES notation for 7H-thiopyrano[4,3-d][1,2]oxazol-4-one?
The canonical SMILES for 7H-thiopyrano[4,3-d][1,2]oxazol-4-one is O=C1CSCc2oncc21.
What is the InChIKey of 7H-thiopyrano[4,3-d][1,2]oxazol-4-one?
The InChIKey is MVEFELQDJZMBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO2S/c8-5-2-10-3-6-4(5)1-7-9-6/h1H,2-3H2.
What are the key properties of 7H-thiopyrano[4,3-d][1,2]oxazol-4-one?
7H-thiopyrano[4,3-d][1,2]oxazol-4-one has a molecular weight of 155.18 g/mol, XLogP of 1.10, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-thiopyrano[4,3-d][1,2]oxazol-4-one is sourced from PubChem (CID 13381535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).