4-chloro-6-oxo-2-phenyl-1,3-thiazine-5-carbaldehyde

C11H6ClNO2S — CID 13317409

IUPAC4-chloro-6-oxo-2-phenyl-1,3-thiazine-5-carbaldehyde
SMILESO=Cc1c(Cl)nc(-c2ccccc2)sc1=O
InChIInChI=1S/C11H6ClNO2S/c12-9-8(6-14)11(15)16-10(13-9)7-4-2-1-3-5-7/h1-6H
InChIKeyQUFXQTLEAPLKSF-UHFFFAOYSA-N
MW251.69 g/mol
LogP2.64
Rot. Bonds2

About 4-chloro-6-oxo-2-phenyl-1,3-thiazine-5-carbaldehyde

4-chloro-6-oxo-2-phenyl-1,3-thiazine-5-carbaldehyde (PubChem CID 13317409) has the molecular formula C11H6ClNO2S and a molecular weight of 251.69 g/mol. Its IUPAC name is 4-chloro-6-oxo-2-phenyl-1,3-thiazine-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-6-oxo-2-phenyl-1,3-thiazine-5-carbaldehyde
PubChem CID13317409
Molecular FormulaC11H6ClNO2S
Molecular Weight251.69 g/mol
Exact Mass250.98
IUPAC Name4-chloro-6-oxo-2-phenyl-1,3-thiazine-5-carbaldehyde
SMILESO=Cc1c(Cl)nc(-c2ccccc2)sc1=O
InChIInChI=1S/C11H6ClNO2S/c12-9-8(6-14)11(15)16-10(13-9)7-4-2-1-3-5-7/h1-6H
InChIKeyQUFXQTLEAPLKSF-UHFFFAOYSA-N
XLogP2.64
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.69
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-oxo-2-phenyl-1,3-thiazine-5-carbaldehyde?
The IUPAC name of 4-chloro-6-oxo-2-phenyl-1,3-thiazine-5-carbaldehyde (CID 13317409) is 4-chloro-6-oxo-2-phenyl-1,3-thiazine-5-carbaldehyde.
What is the SMILES notation for 4-chloro-6-oxo-2-phenyl-1,3-thiazine-5-carbaldehyde?
The canonical SMILES for 4-chloro-6-oxo-2-phenyl-1,3-thiazine-5-carbaldehyde is O=Cc1c(Cl)nc(-c2ccccc2)sc1=O.
What is the InChIKey of 4-chloro-6-oxo-2-phenyl-1,3-thiazine-5-carbaldehyde?
The InChIKey is QUFXQTLEAPLKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClNO2S/c12-9-8(6-14)11(15)16-10(13-9)7-4-2-1-3-5-7/h1-6H.
What are the key properties of 4-chloro-6-oxo-2-phenyl-1,3-thiazine-5-carbaldehyde?
4-chloro-6-oxo-2-phenyl-1,3-thiazine-5-carbaldehyde has a molecular weight of 251.69 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-oxo-2-phenyl-1,3-thiazine-5-carbaldehyde is sourced from PubChem (CID 13317409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).