6-(4-iodophenyl)-5-sulfanylidene-[1,3]dithiolo[4,5-d][1,3]thiazol-2-one

C10H4INOS4 — CID 139205481

IUPAC6-(4-iodophenyl)-5-sulfanylidene-[1,3]dithiolo[4,5-d][1,3]thiazol-2-one
SMILESO=c1sc2sc(=S)n(-c3ccc(I)cc3)c2s1
InChIInChI=1S/C10H4INOS4/c11-5-1-3-6(4-2-5)12-7-8(16-9(12)14)17-10(13)15-7/h1-4H
InChIKeyCXOLOMRCHGUFGK-UHFFFAOYSA-N
MW409.32 g/mol
LogP4.51
Rot. Bonds1

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

6-(4-iodophenyl)-5-sulfanylidene-[1,3]dithiolo[4,5-d][1,3]thiazol-2-one (PubChem CID 139205481) has the molecular formula C10H4INOS4 and a molecular weight of 409.32 g/mol. Its IUPAC name is 6-(4-iodophenyl)-5-sulfanylidene-[1,3]dithiolo[4,5-d][1,3]thiazol-2-one.

Molecular Properties

Compound Name6-(4-iodophenyl)-5-sulfanylidene-[1,3]dithiolo[4,5-d][1,3]thiazol-2-one
PubChem CID139205481
Molecular FormulaC10H4INOS4
Molecular Weight409.32 g/mol
Exact Mass408.82
IUPAC Name6-(4-iodophenyl)-5-sulfanylidene-[1,3]dithiolo[4,5-d][1,3]thiazol-2-one
SMILESO=c1sc2sc(=S)n(-c3ccc(I)cc3)c2s1
InChIInChI=1S/C10H4INOS4/c11-5-1-3-6(4-2-5)12-7-8(16-9(12)14)17-10(13)15-7/h1-4H
InChIKeyCXOLOMRCHGUFGK-UHFFFAOYSA-N
XLogP4.51
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.32
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-Phenyl-2-sulfanylidenethieno[2,3-d][1,3]thiazol-6-one
CID 11043684
6-Phenyl-5-sulfanylidene-[1,3]dithiolo[4,5-d][1,3]thiazol-2-one
CID 139192174
6-(2-Iodophenyl)-5-sulfanylidene-[1,3]dithiolo[4,5-d][1,3]thiazol-2-one
CID 139205484
3-(2-Iodophenyl)-4,5-dimethyl-1,3-thiazole-2-thione
CID 90343084
3-Phenyl-4,5-bis(sulfanyl)-1,3-thiazole-2-thione
CID 15807056

Frequently Asked Questions

What is the IUPAC name of 6-(4-iodophenyl)-5-sulfanylidene-[1,3]dithiolo[4,5-d][1,3]thiazol-2-one?
The IUPAC name of 6-(4-iodophenyl)-5-sulfanylidene-[1,3]dithiolo[4,5-d][1,3]thiazol-2-one (CID 139205481) is 6-(4-iodophenyl)-5-sulfanylidene-[1,3]dithiolo[4,5-d][1,3]thiazol-2-one.
What is the SMILES notation for 6-(4-iodophenyl)-5-sulfanylidene-[1,3]dithiolo[4,5-d][1,3]thiazol-2-one?
The canonical SMILES for 6-(4-iodophenyl)-5-sulfanylidene-[1,3]dithiolo[4,5-d][1,3]thiazol-2-one is O=c1sc2sc(=S)n(-c3ccc(I)cc3)c2s1.
What is the InChIKey of 6-(4-iodophenyl)-5-sulfanylidene-[1,3]dithiolo[4,5-d][1,3]thiazol-2-one?
The InChIKey is CXOLOMRCHGUFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4INOS4/c11-5-1-3-6(4-2-5)12-7-8(16-9(12)14)17-10(13)15-7/h1-4H.
What are the key properties of 6-(4-iodophenyl)-5-sulfanylidene-[1,3]dithiolo[4,5-d][1,3]thiazol-2-one?
6-(4-iodophenyl)-5-sulfanylidene-[1,3]dithiolo[4,5-d][1,3]thiazol-2-one has a molecular weight of 409.32 g/mol, XLogP of 4.51, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-iodophenyl)-5-sulfanylidene-[1,3]dithiolo[4,5-d][1,3]thiazol-2-one is sourced from PubChem (CID 139205481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).