5-phenyl-1,2,4-dithiazol-3-one

C8H5NOS2 — CID 11805627

IUPAC5-phenyl-1,2,4-dithiazol-3-one
SMILESO=c1nc(-c2ccccc2)ss1
InChIInChI=1S/C8H5NOS2/c10-8-9-7(11-12-8)6-4-2-1-3-5-6/h1-5H
InChIKeyLKDWQHQNDDNHSC-UHFFFAOYSA-N
MW195.27 g/mol
LogP2.23
Rot. Bonds1

About 5-phenyl-1,2,4-dithiazol-3-one

5-phenyl-1,2,4-dithiazol-3-one (PubChem CID 11805627) has the molecular formula C8H5NOS2 and a molecular weight of 195.27 g/mol. Its IUPAC name is 5-phenyl-1,2,4-dithiazol-3-one.

Molecular Properties

Compound Name5-phenyl-1,2,4-dithiazol-3-one
PubChem CID11805627
Molecular FormulaC8H5NOS2
Molecular Weight195.27 g/mol
Exact Mass194.98
IUPAC Name5-phenyl-1,2,4-dithiazol-3-one
SMILESO=c1nc(-c2ccccc2)ss1
InChIInChI=1S/C8H5NOS2/c10-8-9-7(11-12-8)6-4-2-1-3-5-6/h1-5H
InChIKeyLKDWQHQNDDNHSC-UHFFFAOYSA-N
XLogP2.23
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Phenylthiazol-4-one
CID 2748720
5-(4-Chlorophenyl)-1,2,4-dithiazol-3-one
CID 12365796
5-(o-Tolyl)-1,2,4-dithiazol-3-one
CID 71563202
5-(2-Chlorophenyl)-1,2,4-dithiazol-3-one
CID 12695233
5-(4-Fluorophenyl)-1,2,4-dithiazol-3-one
CID 71563201
3H-1,2,4-Dithiazole-3-thione, 5-phenyl-
CID 12204171
2-Phenylthiazoline-4,5-dione
CID 2748808
5-(4-Methylphenyl)-1,2,4-dithiazole-3-thione
CID 12330123
2-Phenyl-1,3-thiazol-5(4H)-one
CID 12549904
Phenylthiazolinone
CID 67362697
5-phenyl-3H-1,2,4-dithiazole
CID 85781407
5-Phenyl-3,3-bis(trifluoromethyl)-3H-1,2,4-dithiazole
CID 13554163

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-1,2,4-dithiazol-3-one?
The IUPAC name of 5-phenyl-1,2,4-dithiazol-3-one (CID 11805627) is 5-phenyl-1,2,4-dithiazol-3-one.
What is the SMILES notation for 5-phenyl-1,2,4-dithiazol-3-one?
The canonical SMILES for 5-phenyl-1,2,4-dithiazol-3-one is O=c1nc(-c2ccccc2)ss1.
What is the InChIKey of 5-phenyl-1,2,4-dithiazol-3-one?
The InChIKey is LKDWQHQNDDNHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NOS2/c10-8-9-7(11-12-8)6-4-2-1-3-5-6/h1-5H.
What are the key properties of 5-phenyl-1,2,4-dithiazol-3-one?
5-phenyl-1,2,4-dithiazol-3-one has a molecular weight of 195.27 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-1,2,4-dithiazol-3-one is sourced from PubChem (CID 11805627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).