2,4-dimethyl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-one

C8H12N2OS — CID 169289330

IUPAC2,4-dimethyl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-one
SMILESCC1SCCc2[nH]n(C)c(=O)c21
InChIInChI=1S/C8H12N2OS/c1-5-7-6(3-4-12-5)9-10(2)8(7)11/h5,9H,3-4H2,1-2H3
InChIKeyZLTUQGYXDFLGKM-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.06
Rot. Bonds

About 2,4-dimethyl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-one

2,4-dimethyl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-one (PubChem CID 169289330) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 2,4-dimethyl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-one.

Molecular Properties

Compound Name2,4-dimethyl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-one
PubChem CID169289330
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name2,4-dimethyl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-one
SMILESCC1SCCc2[nH]n(C)c(=O)c21
InChIInChI=1S/C8H12N2OS/c1-5-7-6(3-4-12-5)9-10(2)8(7)11/h5,9H,3-4H2,1-2H3
InChIKeyZLTUQGYXDFLGKM-UHFFFAOYSA-N
XLogP1.06
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-one?
The IUPAC name of 2,4-dimethyl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-one (CID 169289330) is 2,4-dimethyl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-one.
What is the SMILES notation for 2,4-dimethyl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-one?
The canonical SMILES for 2,4-dimethyl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-one is CC1SCCc2[nH]n(C)c(=O)c21.
What is the InChIKey of 2,4-dimethyl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-one?
The InChIKey is ZLTUQGYXDFLGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-5-7-6(3-4-12-5)9-10(2)8(7)11/h5,9H,3-4H2,1-2H3.
What are the key properties of 2,4-dimethyl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-one?
2,4-dimethyl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-one has a molecular weight of 184.26 g/mol, XLogP of 1.06, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-one is sourced from PubChem (CID 169289330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).