2-(2-chlorophenyl)-1,3-thiazin-4-one

C10H6ClNOS — CID 174934041

IUPAC2-(2-chlorophenyl)-1,3-thiazin-4-one
SMILESO=c1ccsc(-c2ccccc2Cl)n1
InChIInChI=1S/C10H6ClNOS/c11-8-4-2-1-3-7(8)10-12-9(13)5-6-14-10/h1-6H
InChIKeyVHAHTLHVRDLTNL-UHFFFAOYSA-N
MW223.68 g/mol
LogP2.82
Rot. Bonds1

About 2-(2-chlorophenyl)-1,3-thiazin-4-one

2-(2-chlorophenyl)-1,3-thiazin-4-one (PubChem CID 174934041) has the molecular formula C10H6ClNOS and a molecular weight of 223.68 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1,3-thiazin-4-one.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1,3-thiazin-4-one
PubChem CID174934041
Molecular FormulaC10H6ClNOS
Molecular Weight223.68 g/mol
Exact Mass222.99
IUPAC Name2-(2-chlorophenyl)-1,3-thiazin-4-one
SMILESO=c1ccsc(-c2ccccc2Cl)n1
InChIInChI=1S/C10H6ClNOS/c11-8-4-2-1-3-7(8)10-12-9(13)5-6-14-10/h1-6H
InChIKeyVHAHTLHVRDLTNL-UHFFFAOYSA-N
XLogP2.82
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.68
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-Chlorophenyl)-1,2,4-dithiazol-3-one
CID 12695233
5-(2-chloro-6-fluorobenzylidene)-2-phenyl-1,3-thiazol-4(5H)-one
CID 1741161
(5Z)-5-[(2-chlorophenyl)methylidene]-2-phenyl-1,3-thiazol-4-one
CID 141758683
2-(2-Chloro-6-fluorophenyl)-1,3-thiazol-4-one
CID 130501300
2-(4-Chlorophenyl)-1,3-thiazole-4,5-dione
CID 12365789
(5Z)-5-[(4-chlorophenyl)methylidene]-2-phenyl-1,3-thiazol-4-one
CID 164672822
5-[(2-Chloro-6-fluorophenyl)methylidene]-2-phenyl-1,3-thiazol-4-one
CID 869606
(5E)-5-[(2-chloro-6-fluorophenyl)methylidene]-2-phenyl-1,3-thiazol-4-one
CID 1741162
2-(5-Chloro-2-fluorophenyl)-1,3-thiazol-4-one
CID 130501119
2-[(2-Chloro-4-fluorophenyl)methyl]-1,3-thiazol-4-one
CID 130501122
2-[(2-Chloro-6-fluorophenyl)methyl]-1,3-thiazol-4-one
CID 130501252
2-(2-Chloro-4-fluorophenyl)-1,3-thiazol-4-one
CID 130501302

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1,3-thiazin-4-one?
The IUPAC name of 2-(2-chlorophenyl)-1,3-thiazin-4-one (CID 174934041) is 2-(2-chlorophenyl)-1,3-thiazin-4-one.
What is the SMILES notation for 2-(2-chlorophenyl)-1,3-thiazin-4-one?
The canonical SMILES for 2-(2-chlorophenyl)-1,3-thiazin-4-one is O=c1ccsc(-c2ccccc2Cl)n1.
What is the InChIKey of 2-(2-chlorophenyl)-1,3-thiazin-4-one?
The InChIKey is VHAHTLHVRDLTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClNOS/c11-8-4-2-1-3-7(8)10-12-9(13)5-6-14-10/h1-6H.
What are the key properties of 2-(2-chlorophenyl)-1,3-thiazin-4-one?
2-(2-chlorophenyl)-1,3-thiazin-4-one has a molecular weight of 223.68 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1,3-thiazin-4-one is sourced from PubChem (CID 174934041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).