3,4-dimethyl-1,2,5-thiadiazole 1,1-dioxide

C4H6N2O2S — CID 11829586

IUPAC3,4-dimethyl-1,2,5-thiadiazole 1,1-dioxide
SMILESCC1=NS(=O)(=O)N=C1C
InChIInChI=1S/C4H6N2O2S/c1-3-4(2)6-9(7,8)5-3/h1-2H3
InChIKeyHZSSITRKDWKELE-UHFFFAOYSA-N
MW146.17 g/mol
LogP0.17
Rot. Bonds

About 3,4-dimethyl-1,2,5-thiadiazole 1,1-dioxide

3,4-dimethyl-1,2,5-thiadiazole 1,1-dioxide (PubChem CID 11829586) has the molecular formula C4H6N2O2S and a molecular weight of 146.17 g/mol. Its IUPAC name is 3,4-dimethyl-1,2,5-thiadiazole 1,1-dioxide.

Molecular Properties

Compound Name3,4-dimethyl-1,2,5-thiadiazole 1,1-dioxide
PubChem CID11829586
Molecular FormulaC4H6N2O2S
Molecular Weight146.17 g/mol
Exact Mass146.01
IUPAC Name3,4-dimethyl-1,2,5-thiadiazole 1,1-dioxide
SMILESCC1=NS(=O)(=O)N=C1C
InChIInChI=1S/C4H6N2O2S/c1-3-4(2)6-9(7,8)5-3/h1-2H3
InChIKeyHZSSITRKDWKELE-UHFFFAOYSA-N
XLogP0.17
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.17
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1,2,5-thiadiazole 1,1-dioxide?
The IUPAC name of 3,4-dimethyl-1,2,5-thiadiazole 1,1-dioxide (CID 11829586) is 3,4-dimethyl-1,2,5-thiadiazole 1,1-dioxide.
What is the SMILES notation for 3,4-dimethyl-1,2,5-thiadiazole 1,1-dioxide?
The canonical SMILES for 3,4-dimethyl-1,2,5-thiadiazole 1,1-dioxide is CC1=NS(=O)(=O)N=C1C.
What is the InChIKey of 3,4-dimethyl-1,2,5-thiadiazole 1,1-dioxide?
The InChIKey is HZSSITRKDWKELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O2S/c1-3-4(2)6-9(7,8)5-3/h1-2H3.
What are the key properties of 3,4-dimethyl-1,2,5-thiadiazole 1,1-dioxide?
3,4-dimethyl-1,2,5-thiadiazole 1,1-dioxide has a molecular weight of 146.17 g/mol, XLogP of 0.17, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1,2,5-thiadiazole 1,1-dioxide is sourced from PubChem (CID 11829586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).