thiadiazole;dihydrate

C2H6N2O2S — CID 23318263

IUPACthiadiazole;dihydrate
SMILESO.O.c1csnn1
InChIInChI=1S/C2H2N2S.2H2O/c1-2-5-4-3-1;;/h1-2H;2*1H2
InChIKeyIOTSTXWVLNQTKY-UHFFFAOYSA-N
MW122.15 g/mol
LogP-1.11
Rot. Bonds

About thiadiazole;dihydrate

thiadiazole;dihydrate (PubChem CID 23318263) has the molecular formula C2H6N2O2S and a molecular weight of 122.15 g/mol. Its IUPAC name is thiadiazole;dihydrate.

Molecular Properties

Compound Namethiadiazole;dihydrate
PubChem CID23318263
Molecular FormulaC2H6N2O2S
Molecular Weight122.15 g/mol
Exact Mass122.01
IUPAC Namethiadiazole;dihydrate
SMILESO.O.c1csnn1
InChIInChI=1S/C2H2N2S.2H2O/c1-2-5-4-3-1;;/h1-2H;2*1H2
InChIKeyIOTSTXWVLNQTKY-UHFFFAOYSA-N
XLogP-1.11
TPSA88.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.15
LogP ≤ 5-1.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of thiadiazole;dihydrate?
The IUPAC name of thiadiazole;dihydrate (CID 23318263) is thiadiazole;dihydrate.
What is the SMILES notation for thiadiazole;dihydrate?
The canonical SMILES for thiadiazole;dihydrate is O.O.c1csnn1.
What is the InChIKey of thiadiazole;dihydrate?
The InChIKey is IOTSTXWVLNQTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2N2S.2H2O/c1-2-5-4-3-1;;/h1-2H;2*1H2.
What are the key properties of thiadiazole;dihydrate?
thiadiazole;dihydrate has a molecular weight of 122.15 g/mol, XLogP of -1.11, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for thiadiazole;dihydrate is sourced from PubChem (CID 23318263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).