(8aS)-3-sulfanylidene-1,5,6,8a-tetrahydro-[1,3]thiazolo[4,3-c][1,4]thiazin-8-one

C6H7NOS3 — CID 10375680

IUPAC(8aS)-3-sulfanylidene-1,5,6,8a-tetrahydro-[1,3]thiazolo[4,3-c][1,4]thiazin-8-one
SMILESO=C1SCCN2C(=S)SC[C@@H]12
InChIInChI=1S/C6H7NOS3/c8-5-4-3-11-6(9)7(4)1-2-10-5/h4H,1-3H2/t4-/m0/s1
InChIKeyHVJDTSWLNXXZTG-BYPYZUCNSA-N
MW205.33 g/mol
LogP0.96
Rot. Bonds

About (8aS)-3-sulfanylidene-1,5,6,8a-tetrahydro-[1,3]thiazolo[4,3-c][1,4]thiazin-8-one

(8aS)-3-sulfanylidene-1,5,6,8a-tetrahydro-[1,3]thiazolo[4,3-c][1,4]thiazin-8-one (PubChem CID 10375680) has the molecular formula C6H7NOS3 and a molecular weight of 205.33 g/mol. Its IUPAC name is (8aS)-3-sulfanylidene-1,5,6,8a-tetrahydro-[1,3]thiazolo[4,3-c][1,4]thiazin-8-one.

Molecular Properties

Compound Name(8aS)-3-sulfanylidene-1,5,6,8a-tetrahydro-[1,3]thiazolo[4,3-c][1,4]thiazin-8-one
PubChem CID10375680
Molecular FormulaC6H7NOS3
Molecular Weight205.33 g/mol
Exact Mass204.97
IUPAC Name(8aS)-3-sulfanylidene-1,5,6,8a-tetrahydro-[1,3]thiazolo[4,3-c][1,4]thiazin-8-one
SMILESO=C1SCCN2C(=S)SC[C@@H]12
InChIInChI=1S/C6H7NOS3/c8-5-4-3-11-6(9)7(4)1-2-10-5/h4H,1-3H2/t4-/m0/s1
InChIKeyHVJDTSWLNXXZTG-BYPYZUCNSA-N
XLogP0.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.33
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (8aS)-3-sulfanylidene-1,5,6,8a-tetrahydro-[1,3]thiazolo[4,3-c][1,4]thiazin-8-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (8aS)-3-sulfanylidene-1,5,6,8a-tetrahydro-[1,3]thiazolo[4,3-c][1,4]thiazin-8-one?
The IUPAC name of (8aS)-3-sulfanylidene-1,5,6,8a-tetrahydro-[1,3]thiazolo[4,3-c][1,4]thiazin-8-one (CID 10375680) is (8aS)-3-sulfanylidene-1,5,6,8a-tetrahydro-[1,3]thiazolo[4,3-c][1,4]thiazin-8-one.
What is the SMILES notation for (8aS)-3-sulfanylidene-1,5,6,8a-tetrahydro-[1,3]thiazolo[4,3-c][1,4]thiazin-8-one?
The canonical SMILES for (8aS)-3-sulfanylidene-1,5,6,8a-tetrahydro-[1,3]thiazolo[4,3-c][1,4]thiazin-8-one is O=C1SCCN2C(=S)SC[C@@H]12.
What is the InChIKey of (8aS)-3-sulfanylidene-1,5,6,8a-tetrahydro-[1,3]thiazolo[4,3-c][1,4]thiazin-8-one?
The InChIKey is HVJDTSWLNXXZTG-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H7NOS3/c8-5-4-3-11-6(9)7(4)1-2-10-5/h4H,1-3H2/t4-/m0/s1.
What are the key properties of (8aS)-3-sulfanylidene-1,5,6,8a-tetrahydro-[1,3]thiazolo[4,3-c][1,4]thiazin-8-one?
(8aS)-3-sulfanylidene-1,5,6,8a-tetrahydro-[1,3]thiazolo[4,3-c][1,4]thiazin-8-one has a molecular weight of 205.33 g/mol, XLogP of 0.96, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS)-3-sulfanylidene-1,5,6,8a-tetrahydro-[1,3]thiazolo[4,3-c][1,4]thiazin-8-one is sourced from PubChem (CID 10375680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).