3-methyl-4H-1,2,4,6-thiatriazine 1,1-dioxide

C3H5N3O2S — CID 154306010

IUPAC3-methyl-4H-1,2,4,6-thiatriazine 1,1-dioxide
SMILESCC1=NS(=O)(=O)N=CN1
InChIInChI=1S/C3H5N3O2S/c1-3-4-2-5-9(7,8)6-3/h2H,1H3,(H,4,5,6)
InChIKeyBLYPYIUYHQCFER-UHFFFAOYSA-N
MW147.16 g/mol
LogP-0.72
Rot. Bonds

About 3-methyl-4H-1,2,4,6-thiatriazine 1,1-dioxide

3-methyl-4H-1,2,4,6-thiatriazine 1,1-dioxide (PubChem CID 154306010) has the molecular formula C3H5N3O2S and a molecular weight of 147.16 g/mol. Its IUPAC name is 3-methyl-4H-1,2,4,6-thiatriazine 1,1-dioxide.

Molecular Properties

Compound Name3-methyl-4H-1,2,4,6-thiatriazine 1,1-dioxide
PubChem CID154306010
Molecular FormulaC3H5N3O2S
Molecular Weight147.16 g/mol
Exact Mass147.01
IUPAC Name3-methyl-4H-1,2,4,6-thiatriazine 1,1-dioxide
SMILESCC1=NS(=O)(=O)N=CN1
InChIInChI=1S/C3H5N3O2S/c1-3-4-2-5-9(7,8)6-3/h2H,1H3,(H,4,5,6)
InChIKeyBLYPYIUYHQCFER-UHFFFAOYSA-N
XLogP-0.72
TPSA70.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.16
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4H-1,2,4,6-thiatriazine 1,1-dioxide?
The IUPAC name of 3-methyl-4H-1,2,4,6-thiatriazine 1,1-dioxide (CID 154306010) is 3-methyl-4H-1,2,4,6-thiatriazine 1,1-dioxide.
What is the SMILES notation for 3-methyl-4H-1,2,4,6-thiatriazine 1,1-dioxide?
The canonical SMILES for 3-methyl-4H-1,2,4,6-thiatriazine 1,1-dioxide is CC1=NS(=O)(=O)N=CN1.
What is the InChIKey of 3-methyl-4H-1,2,4,6-thiatriazine 1,1-dioxide?
The InChIKey is BLYPYIUYHQCFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N3O2S/c1-3-4-2-5-9(7,8)6-3/h2H,1H3,(H,4,5,6).
What are the key properties of 3-methyl-4H-1,2,4,6-thiatriazine 1,1-dioxide?
3-methyl-4H-1,2,4,6-thiatriazine 1,1-dioxide has a molecular weight of 147.16 g/mol, XLogP of -0.72, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4H-1,2,4,6-thiatriazine 1,1-dioxide is sourced from PubChem (CID 154306010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).