ethyl-methyl-(2-methylpyrazol-3-yl)imino-oxo-λ6-sulfane

C7H13N3OS — CID 125451156

IUPACethyl-methyl-(2-methylpyrazol-3-yl)imino-oxo-λ6-sulfane
SMILESCC[S@@](C)(=O)=Nc1ccnn1C
InChIInChI=1S/C7H13N3OS/c1-4-12(3,11)9-7-5-6-8-10(7)2/h5-6H,4H2,1-3H3/t12-/m1/s1
InChIKeyZUNCPSDHSUYMQS-GFCCVEGCSA-N
MW187.27 g/mol
LogP1.17
Rot. Bonds2

About ethyl-methyl-(2-methylpyrazol-3-yl)imino-oxo-λ6-sulfane

ethyl-methyl-(2-methylpyrazol-3-yl)imino-oxo-λ6-sulfane (PubChem CID 125451156) has the molecular formula C7H13N3OS and a molecular weight of 187.27 g/mol. Its IUPAC name is ethyl-methyl-(2-methylpyrazol-3-yl)imino-oxo-λ6-sulfane.

Molecular Properties

Compound Nameethyl-methyl-(2-methylpyrazol-3-yl)imino-oxo-λ6-sulfane
PubChem CID125451156
Molecular FormulaC7H13N3OS
Molecular Weight187.27 g/mol
Exact Mass187.08
IUPAC Nameethyl-methyl-(2-methylpyrazol-3-yl)imino-oxo-λ6-sulfane
SMILESCC[S@@](C)(=O)=Nc1ccnn1C
InChIInChI=1S/C7H13N3OS/c1-4-12(3,11)9-7-5-6-8-10(7)2/h5-6H,4H2,1-3H3/t12-/m1/s1
InChIKeyZUNCPSDHSUYMQS-GFCCVEGCSA-N
XLogP1.17
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.27
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl-methyl-(2-methylpyrazol-3-yl)imino-oxo-λ6-sulfane?
The IUPAC name of ethyl-methyl-(2-methylpyrazol-3-yl)imino-oxo-λ6-sulfane (CID 125451156) is ethyl-methyl-(2-methylpyrazol-3-yl)imino-oxo-λ6-sulfane.
What is the SMILES notation for ethyl-methyl-(2-methylpyrazol-3-yl)imino-oxo-λ6-sulfane?
The canonical SMILES for ethyl-methyl-(2-methylpyrazol-3-yl)imino-oxo-λ6-sulfane is CC[S@@](C)(=O)=Nc1ccnn1C.
What is the InChIKey of ethyl-methyl-(2-methylpyrazol-3-yl)imino-oxo-λ6-sulfane?
The InChIKey is ZUNCPSDHSUYMQS-GFCCVEGCSA-N. The full InChI is InChI=1S/C7H13N3OS/c1-4-12(3,11)9-7-5-6-8-10(7)2/h5-6H,4H2,1-3H3/t12-/m1/s1.
What are the key properties of ethyl-methyl-(2-methylpyrazol-3-yl)imino-oxo-λ6-sulfane?
ethyl-methyl-(2-methylpyrazol-3-yl)imino-oxo-λ6-sulfane has a molecular weight of 187.27 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-methyl-(2-methylpyrazol-3-yl)imino-oxo-λ6-sulfane is sourced from PubChem (CID 125451156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).