6-oxo-2-phenyl-1,3-thiazin-4-olate

C10H6NO2S- — CID 134098695

IUPAC6-oxo-2-phenyl-1,3-thiazin-4-olate
SMILESO=c1cc([O-])nc(-c2ccccc2)s1
InChIInChI=1S/C10H7NO2S/c12-8-6-9(13)14-10(11-8)7-4-2-1-3-5-7/h1-6,12H/p-1
InChIKeyZNGFFSZYJNHKQT-UHFFFAOYSA-M
MW204.23 g/mol
LogP1.24
Rot. Bonds1

About 6-oxo-2-phenyl-1,3-thiazin-4-olate

6-oxo-2-phenyl-1,3-thiazin-4-olate (PubChem CID 134098695) has the molecular formula C10H6NO2S- and a molecular weight of 204.23 g/mol. Its IUPAC name is 6-oxo-2-phenyl-1,3-thiazin-4-olate.

Molecular Properties

Compound Name6-oxo-2-phenyl-1,3-thiazin-4-olate
PubChem CID134098695
Molecular FormulaC10H6NO2S-
Molecular Weight204.23 g/mol
Exact Mass204.01
IUPAC Name6-oxo-2-phenyl-1,3-thiazin-4-olate
SMILESO=c1cc([O-])nc(-c2ccccc2)s1
InChIInChI=1S/C10H7NO2S/c12-8-6-9(13)14-10(11-8)7-4-2-1-3-5-7/h1-6,12H/p-1
InChIKeyZNGFFSZYJNHKQT-UHFFFAOYSA-M
XLogP1.24
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-oxo-2-phenyl-1,3-thiazin-4-olate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-oxo-2-phenyl-1,3-thiazin-4-olate?
The IUPAC name of 6-oxo-2-phenyl-1,3-thiazin-4-olate (CID 134098695) is 6-oxo-2-phenyl-1,3-thiazin-4-olate.
What is the SMILES notation for 6-oxo-2-phenyl-1,3-thiazin-4-olate?
The canonical SMILES for 6-oxo-2-phenyl-1,3-thiazin-4-olate is O=c1cc([O-])nc(-c2ccccc2)s1.
What is the InChIKey of 6-oxo-2-phenyl-1,3-thiazin-4-olate?
The InChIKey is ZNGFFSZYJNHKQT-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H7NO2S/c12-8-6-9(13)14-10(11-8)7-4-2-1-3-5-7/h1-6,12H/p-1.
What are the key properties of 6-oxo-2-phenyl-1,3-thiazin-4-olate?
6-oxo-2-phenyl-1,3-thiazin-4-olate has a molecular weight of 204.23 g/mol, XLogP of 1.24, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-2-phenyl-1,3-thiazin-4-olate is sourced from PubChem (CID 134098695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).