Thieno-saccharine

C₆H₅NO₃S₂ — CID 139595901

About Thieno-saccharine

Thieno-saccharine (PubChem CID 139595901) has the molecular formula C₆H₅NO₃S₂ and a molecular weight of 203.24 g/mol. Its IUPAC name is 6-methyl-1,1-dioxothieno[3,4-d][1,2]thiazol-3-one.

Molecular Properties

• Compound Name: Thieno-saccharine
• PubChem CID: 139595901
• Molecular Formula: C₆H₅NO₃S₂
• Molecular Weight: 203.24 g/mol
• Exact Mass: 202.97
• IUPAC Name: 6-methyl-1,1-dioxothieno[3,4-d][1,2]thiazol-3-one
• SMILES: Cc1scc2c1S(=O)(=O)NC2=O
• InChI: InChI=1S/C6H5NO3S2/c1-3-5-4(2-11-3)6(8)7-12(5,9)10/h2H,1H3,(H,7,8)
• InChIKey: LHUVTABLXDEUNO-UHFFFAOYSA-N
• XLogP: 0.49
• TPSA: 63.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	203.24
LogP ≤ 5	0.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of Thieno-saccharine?

The IUPAC name of Thieno-saccharine (CID 139595901) is 6-methyl-1,1-dioxothieno[3,4-d][1,2]thiazol-3-one.

What is the SMILES notation for Thieno-saccharine?

The canonical SMILES for Thieno-saccharine is Cc1scc2c1S(=O)(=O)NC2=O.

What is the InChIKey of Thieno-saccharine?

The InChIKey is LHUVTABLXDEUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO3S2/c1-3-5-4(2-11-3)6(8)7-12(5,9)10/h2H,1H3,(H,7,8).

What are the key properties of Thieno-saccharine?

Thieno-saccharine has a molecular weight of 203.24 g/mol, XLogP of 0.49, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Thieno-saccharine is sourced from PubChem (CID 139595901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 139595901 — identifiers, structure, computed properties (public domain)

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