2,3-dimethyl-1,1-dioxothieno[2,3-e]thiazin-4-ol

C8H9NO3S2 — CID 58033060

IUPAC2,3-dimethyl-1,1-dioxothieno[2,3-e]thiazin-4-ol
SMILESCC1=C(O)c2sccc2S(=O)(=O)N1C
InChIInChI=1S/C8H9NO3S2/c1-5-7(10)8-6(3-4-13-8)14(11,12)9(5)2/h3-4,10H,1-2H3
InChIKeyRHGOFXLMDHWXNC-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.63
Rot. Bonds

About 2,3-dimethyl-1,1-dioxothieno[2,3-e]thiazin-4-ol

2,3-dimethyl-1,1-dioxothieno[2,3-e]thiazin-4-ol (PubChem CID 58033060) has the molecular formula C8H9NO3S2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 2,3-dimethyl-1,1-dioxothieno[2,3-e]thiazin-4-ol.

Molecular Properties

Compound Name2,3-dimethyl-1,1-dioxothieno[2,3-e]thiazin-4-ol
PubChem CID58033060
Molecular FormulaC8H9NO3S2
Molecular Weight231.30 g/mol
Exact Mass231.00
IUPAC Name2,3-dimethyl-1,1-dioxothieno[2,3-e]thiazin-4-ol
SMILESCC1=C(O)c2sccc2S(=O)(=O)N1C
InChIInChI=1S/C8H9NO3S2/c1-5-7(10)8-6(3-4-13-8)14(11,12)9(5)2/h3-4,10H,1-2H3
InChIKeyRHGOFXLMDHWXNC-UHFFFAOYSA-N
XLogP1.63
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1,1-dioxothieno[2,3-e]thiazin-4-ol?
The IUPAC name of 2,3-dimethyl-1,1-dioxothieno[2,3-e]thiazin-4-ol (CID 58033060) is 2,3-dimethyl-1,1-dioxothieno[2,3-e]thiazin-4-ol.
What is the SMILES notation for 2,3-dimethyl-1,1-dioxothieno[2,3-e]thiazin-4-ol?
The canonical SMILES for 2,3-dimethyl-1,1-dioxothieno[2,3-e]thiazin-4-ol is CC1=C(O)c2sccc2S(=O)(=O)N1C.
What is the InChIKey of 2,3-dimethyl-1,1-dioxothieno[2,3-e]thiazin-4-ol?
The InChIKey is RHGOFXLMDHWXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3S2/c1-5-7(10)8-6(3-4-13-8)14(11,12)9(5)2/h3-4,10H,1-2H3.
What are the key properties of 2,3-dimethyl-1,1-dioxothieno[2,3-e]thiazin-4-ol?
2,3-dimethyl-1,1-dioxothieno[2,3-e]thiazin-4-ol has a molecular weight of 231.30 g/mol, XLogP of 1.63, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1,1-dioxothieno[2,3-e]thiazin-4-ol is sourced from PubChem (CID 58033060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).