2-sulfanylidene-7,8-dihydro-6H-[1,3]thiazino[3,2-a]purin-10-one

C8H6N4OS2 — CID 72744175

IUPAC2-sulfanylidene-7,8-dihydro-6H-[1,3]thiazino[3,2-a]purin-10-one
SMILESO=c1c2c(nc3n1CCCS3)=NC(=S)N=2
InChIInChI=1S/C8H6N4OS2/c13-6-4-5(10-7(14)9-4)11-8-12(6)2-1-3-15-8/h1-3H2
InChIKeyMKCNVBIUASTREH-UHFFFAOYSA-N
MW238.30 g/mol
LogP-0.72
Rot. Bonds

About 2-sulfanylidene-7,8-dihydro-6H-[1,3]thiazino[3,2-a]purin-10-one

2-sulfanylidene-7,8-dihydro-6H-[1,3]thiazino[3,2-a]purin-10-one (PubChem CID 72744175) has the molecular formula C8H6N4OS2 and a molecular weight of 238.30 g/mol. Its IUPAC name is 2-sulfanylidene-7,8-dihydro-6H-[1,3]thiazino[3,2-a]purin-10-one.

Molecular Properties

Compound Name2-sulfanylidene-7,8-dihydro-6H-[1,3]thiazino[3,2-a]purin-10-one
PubChem CID72744175
Molecular FormulaC8H6N4OS2
Molecular Weight238.30 g/mol
Exact Mass238.00
IUPAC Name2-sulfanylidene-7,8-dihydro-6H-[1,3]thiazino[3,2-a]purin-10-one
SMILESO=c1c2c(nc3n1CCCS3)=NC(=S)N=2
InChIInChI=1S/C8H6N4OS2/c13-6-4-5(10-7(14)9-4)11-8-12(6)2-1-3-15-8/h1-3H2
InChIKeyMKCNVBIUASTREH-UHFFFAOYSA-N
XLogP-0.72
TPSA59.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.30
LogP ≤ 5-0.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-sulfanylidene-7,8-dihydro-6H-[1,3]thiazino[3,2-a]purin-10-one?
The IUPAC name of 2-sulfanylidene-7,8-dihydro-6H-[1,3]thiazino[3,2-a]purin-10-one (CID 72744175) is 2-sulfanylidene-7,8-dihydro-6H-[1,3]thiazino[3,2-a]purin-10-one.
What is the SMILES notation for 2-sulfanylidene-7,8-dihydro-6H-[1,3]thiazino[3,2-a]purin-10-one?
The canonical SMILES for 2-sulfanylidene-7,8-dihydro-6H-[1,3]thiazino[3,2-a]purin-10-one is O=c1c2c(nc3n1CCCS3)=NC(=S)N=2.
What is the InChIKey of 2-sulfanylidene-7,8-dihydro-6H-[1,3]thiazino[3,2-a]purin-10-one?
The InChIKey is MKCNVBIUASTREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4OS2/c13-6-4-5(10-7(14)9-4)11-8-12(6)2-1-3-15-8/h1-3H2.
What are the key properties of 2-sulfanylidene-7,8-dihydro-6H-[1,3]thiazino[3,2-a]purin-10-one?
2-sulfanylidene-7,8-dihydro-6H-[1,3]thiazino[3,2-a]purin-10-one has a molecular weight of 238.30 g/mol, XLogP of -0.72, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanylidene-7,8-dihydro-6H-[1,3]thiazino[3,2-a]purin-10-one is sourced from PubChem (CID 72744175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).