2-sulfanylidene-6-thiophen-2-yl-1,3-thiazin-4-one

C8H5NOS3 — CID 760085

IUPAC2-sulfanylidene-6-thiophen-2-yl-1,3-thiazin-4-one
SMILESO=c1cc(-c2cccs2)sc(=S)[nH]1
InChIInChI=1S/C8H5NOS3/c10-7-4-6(13-8(11)9-7)5-2-1-3-12-5/h1-4H,(H,9,10,11)
InChIKeyYJTFIMIGVVQHES-UHFFFAOYSA-N
MW227.34 g/mol
LogP2.89
Rot. Bonds1

About 2-sulfanylidene-6-thiophen-2-yl-1,3-thiazin-4-one

2-sulfanylidene-6-thiophen-2-yl-1,3-thiazin-4-one (PubChem CID 760085) has the molecular formula C8H5NOS3 and a molecular weight of 227.34 g/mol. Its IUPAC name is 2-sulfanylidene-6-thiophen-2-yl-1,3-thiazin-4-one.

Molecular Properties

Compound Name2-sulfanylidene-6-thiophen-2-yl-1,3-thiazin-4-one
PubChem CID760085
Molecular FormulaC8H5NOS3
Molecular Weight227.34 g/mol
Exact Mass226.95
IUPAC Name2-sulfanylidene-6-thiophen-2-yl-1,3-thiazin-4-one
SMILESO=c1cc(-c2cccs2)sc(=S)[nH]1
InChIInChI=1S/C8H5NOS3/c10-7-4-6(13-8(11)9-7)5-2-1-3-12-5/h1-4H,(H,9,10,11)
InChIKeyYJTFIMIGVVQHES-UHFFFAOYSA-N
XLogP2.89
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.34
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ester_C(2)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

4-sulfanylidene-6-thiophen-2-yl-1H-pyrimidin-2-one
CID 121206455
4-thiophen-2-yl-1,3-dithiole-2-thione
CID 12650086
2-[3-(3,5-dithiophen-2-ylphenyl)-5-thiophen-2-ylphenyl]thiophene
CID 25194793
4,5-dithiophen-2-yl-1,3-dithiol-2-one
CID 15811354
2,3-dibromo-5-thiophen-2-ylthiophene
CID 24796079
2,5-dithiophen-2-ylthiophene;ethane
CID 169103820
thiophene;2-thiophen-2-ylthiophene
CID 158809122
2,3-bis(2-methyl-5-thiophen-2-ylthiophen-3-yl)naphthalene-1,4-dione
CID 101124466
9-chloro-1-methyl-2-thiophen-2-yl-3,6-dihydropyrrolo[3,2-f]quinolin-7-one
CID 15979817
2-methyl-5-thiophen-2-yl-4H-1,2,4-triazol-3-one
CID 137219354
(2-oxo-4-thiophen-2-yl-3H-1,3-thiazol-5-yl) thiocyanate
CID 14183492
(5E)-2-sulfanylidene-5-[(5-thiophen-2-ylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 45052909

Frequently Asked Questions

What is the IUPAC name of 2-sulfanylidene-6-thiophen-2-yl-1,3-thiazin-4-one?
The IUPAC name of 2-sulfanylidene-6-thiophen-2-yl-1,3-thiazin-4-one (CID 760085) is 2-sulfanylidene-6-thiophen-2-yl-1,3-thiazin-4-one.
What is the SMILES notation for 2-sulfanylidene-6-thiophen-2-yl-1,3-thiazin-4-one?
The canonical SMILES for 2-sulfanylidene-6-thiophen-2-yl-1,3-thiazin-4-one is O=c1cc(-c2cccs2)sc(=S)[nH]1.
What is the InChIKey of 2-sulfanylidene-6-thiophen-2-yl-1,3-thiazin-4-one?
The InChIKey is YJTFIMIGVVQHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NOS3/c10-7-4-6(13-8(11)9-7)5-2-1-3-12-5/h1-4H,(H,9,10,11).
What are the key properties of 2-sulfanylidene-6-thiophen-2-yl-1,3-thiazin-4-one?
2-sulfanylidene-6-thiophen-2-yl-1,3-thiazin-4-one has a molecular weight of 227.34 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanylidene-6-thiophen-2-yl-1,3-thiazin-4-one is sourced from PubChem (CID 760085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).