2,6-dimethyl-4-methylidene-1,1-dioxothiopyran-3,5-dicarbonitrile

C10H8N2O2S — CID 70413338

IUPAC2,6-dimethyl-4-methylidene-1,1-dioxothiopyran-3,5-dicarbonitrile
SMILESC=C1C(C#N)=C(C)S(=O)(=O)C(C)=C1C#N
InChIInChI=1S/C10H8N2O2S/c1-6-9(4-11)7(2)15(13,14)8(3)10(6)5-12/h1H2,2-3H3
InChIKeyHIKQNOWOAUUQTC-UHFFFAOYSA-N
MW220.25 g/mol
LogP1.57
Rot. Bonds

About 2,6-dimethyl-4-methylidene-1,1-dioxothiopyran-3,5-dicarbonitrile

2,6-dimethyl-4-methylidene-1,1-dioxothiopyran-3,5-dicarbonitrile (PubChem CID 70413338) has the molecular formula C10H8N2O2S and a molecular weight of 220.25 g/mol. Its IUPAC name is 2,6-dimethyl-4-methylidene-1,1-dioxothiopyran-3,5-dicarbonitrile.

Molecular Properties

Compound Name2,6-dimethyl-4-methylidene-1,1-dioxothiopyran-3,5-dicarbonitrile
PubChem CID70413338
Molecular FormulaC10H8N2O2S
Molecular Weight220.25 g/mol
Exact Mass220.03
IUPAC Name2,6-dimethyl-4-methylidene-1,1-dioxothiopyran-3,5-dicarbonitrile
SMILESC=C1C(C#N)=C(C)S(=O)(=O)C(C)=C1C#N
InChIInChI=1S/C10H8N2O2S/c1-6-9(4-11)7(2)15(13,14)8(3)10(6)5-12/h1H2,2-3H3
InChIKeyHIKQNOWOAUUQTC-UHFFFAOYSA-N
XLogP1.57
TPSA81.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-methylidene-1,1-dioxothiopyran-3,5-dicarbonitrile?
The IUPAC name of 2,6-dimethyl-4-methylidene-1,1-dioxothiopyran-3,5-dicarbonitrile (CID 70413338) is 2,6-dimethyl-4-methylidene-1,1-dioxothiopyran-3,5-dicarbonitrile.
What is the SMILES notation for 2,6-dimethyl-4-methylidene-1,1-dioxothiopyran-3,5-dicarbonitrile?
The canonical SMILES for 2,6-dimethyl-4-methylidene-1,1-dioxothiopyran-3,5-dicarbonitrile is C=C1C(C#N)=C(C)S(=O)(=O)C(C)=C1C#N.
What is the InChIKey of 2,6-dimethyl-4-methylidene-1,1-dioxothiopyran-3,5-dicarbonitrile?
The InChIKey is HIKQNOWOAUUQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2S/c1-6-9(4-11)7(2)15(13,14)8(3)10(6)5-12/h1H2,2-3H3.
What are the key properties of 2,6-dimethyl-4-methylidene-1,1-dioxothiopyran-3,5-dicarbonitrile?
2,6-dimethyl-4-methylidene-1,1-dioxothiopyran-3,5-dicarbonitrile has a molecular weight of 220.25 g/mol, XLogP of 1.57, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-methylidene-1,1-dioxothiopyran-3,5-dicarbonitrile is sourced from PubChem (CID 70413338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).