6-phenyl-5-sulfanylidene-[1,3]dithiolo[4,5-d][1,3]thiazol-2-one

C10H5NOS4 — CID 139192174

IUPAC6-phenyl-5-sulfanylidene-[1,3]dithiolo[4,5-d][1,3]thiazol-2-one
SMILESO=c1sc2sc(=S)n(-c3ccccc3)c2s1
InChIInChI=1S/C10H5NOS4/c12-10-14-7-8(16-10)15-9(13)11(7)6-4-2-1-3-5-6/h1-5H
InChIKeyBYKIICYNPNCCDF-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.90
Rot. Bonds1

About 6-phenyl-5-sulfanylidene-[1,3]dithiolo[4,5-d][1,3]thiazol-2-one

6-phenyl-5-sulfanylidene-[1,3]dithiolo[4,5-d][1,3]thiazol-2-one (PubChem CID 139192174) has the molecular formula C10H5NOS4 and a molecular weight of 283.42 g/mol. Its IUPAC name is 6-phenyl-5-sulfanylidene-[1,3]dithiolo[4,5-d][1,3]thiazol-2-one.

Molecular Properties

Compound Name6-phenyl-5-sulfanylidene-[1,3]dithiolo[4,5-d][1,3]thiazol-2-one
PubChem CID139192174
Molecular FormulaC10H5NOS4
Molecular Weight283.42 g/mol
Exact Mass282.93
IUPAC Name6-phenyl-5-sulfanylidene-[1,3]dithiolo[4,5-d][1,3]thiazol-2-one
SMILESO=c1sc2sc(=S)n(-c3ccccc3)c2s1
InChIInChI=1S/C10H5NOS4/c12-10-14-7-8(16-10)15-9(13)11(7)6-4-2-1-3-5-6/h1-5H
InChIKeyBYKIICYNPNCCDF-UHFFFAOYSA-N
XLogP3.90
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-Hydroxy-3-phenyl-1,3-thiazole-2-thione
CID 53640795
3-Phenyl-2-sulfanylidenethieno[2,3-d][1,3]thiazol-6-one
CID 11043684
4,6-Dimethyl-3,7-bis(methylsulfanyl)-8-phenyl-1lambda4,2-dithia-8-azabicyclo[3.3.0]octa-1(5),3,6-triene
CID 134908433
6-(4-Iodophenyl)-5-sulfanylidene-[1,3]dithiolo[4,5-d][1,3]thiazol-2-one
CID 139205481
6-(2-Iodophenyl)-5-sulfanylidene-[1,3]dithiolo[4,5-d][1,3]thiazol-2-one
CID 139205484
2-Thiazolidinone, 3-phenyl-4-thioxo-
CID 1214120
4-Phenyl-5-sulfanylidene-1,2,4-dithiazolidin-3-one
CID 13313274
4,5-Dimethyl-3-phenyl-1,3-thiazole-2-thione
CID 15401860
3-Phenyl-2-sulfanylidene-1,3-thiazol-5-olate
CID 21033000
5-Hydroxy-3-phenyl-1,3-thiazole-2-thione
CID 21033001
1-Phenylpyrrole-2,5-dithione
CID 141105489
5-Methyl-3-phenyl-2-sulfanylidene-1,3-thiazole-4-thiolate
CID 145814562

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-5-sulfanylidene-[1,3]dithiolo[4,5-d][1,3]thiazol-2-one?
The IUPAC name of 6-phenyl-5-sulfanylidene-[1,3]dithiolo[4,5-d][1,3]thiazol-2-one (CID 139192174) is 6-phenyl-5-sulfanylidene-[1,3]dithiolo[4,5-d][1,3]thiazol-2-one.
What is the SMILES notation for 6-phenyl-5-sulfanylidene-[1,3]dithiolo[4,5-d][1,3]thiazol-2-one?
The canonical SMILES for 6-phenyl-5-sulfanylidene-[1,3]dithiolo[4,5-d][1,3]thiazol-2-one is O=c1sc2sc(=S)n(-c3ccccc3)c2s1.
What is the InChIKey of 6-phenyl-5-sulfanylidene-[1,3]dithiolo[4,5-d][1,3]thiazol-2-one?
The InChIKey is BYKIICYNPNCCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5NOS4/c12-10-14-7-8(16-10)15-9(13)11(7)6-4-2-1-3-5-6/h1-5H.
What are the key properties of 6-phenyl-5-sulfanylidene-[1,3]dithiolo[4,5-d][1,3]thiazol-2-one?
6-phenyl-5-sulfanylidene-[1,3]dithiolo[4,5-d][1,3]thiazol-2-one has a molecular weight of 283.42 g/mol, XLogP of 3.90, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-5-sulfanylidene-[1,3]dithiolo[4,5-d][1,3]thiazol-2-one is sourced from PubChem (CID 139192174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).