2-oxidothiadiazolidine

C2H5N2OS- — CID 173095362

IUPAC2-oxidothiadiazolidine
SMILES[O-]N1NCCS1
InChIInChI=1S/C2H5N2OS/c5-4-3-1-2-6-4/h3H,1-2H2/q-1
InChIKeyMUASKTGZYSPYTB-UHFFFAOYSA-N
MW105.14 g/mol
LogP-0.05
Rot. Bonds

About 2-oxidothiadiazolidine

2-oxidothiadiazolidine (PubChem CID 173095362) has the molecular formula C2H5N2OS- and a molecular weight of 105.14 g/mol. Its IUPAC name is 2-oxidothiadiazolidine.

Molecular Properties

Compound Name2-oxidothiadiazolidine
PubChem CID173095362
Molecular FormulaC2H5N2OS-
Molecular Weight105.14 g/mol
Exact Mass105.01
IUPAC Name2-oxidothiadiazolidine
SMILES[O-]N1NCCS1
InChIInChI=1S/C2H5N2OS/c5-4-3-1-2-6-4/h3H,1-2H2/q-1
InChIKeyMUASKTGZYSPYTB-UHFFFAOYSA-N
XLogP-0.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.14
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Dihydrothiadiazol-2-amine
CID 20527895
Thiadiazolidine
CID 21887071
Thiadiazolidin-2-ium 2-oxide
CID 57010971
Thiadiazolidine-2-sulfonamide
CID 91315494
2-Sulfanylidenethiadiazolidin-2-ium
CID 20163164
2-Hydroxythiadiazolidine
CID 23067435
2-Sulfanylidenethiadiazolidin-2-ium-5-thiol
CID 57029282
1lambda4-Thia-2,3-diazacyclopenten-1-amine
CID 68809337
3-Oxidothiadiazolidin-3-ium
CID 87192700
2,2-Dioxidothiadiazolidin-2-ium
CID 87427828
2-Hydroxy-2-oxidothiadiazolidin-2-ium
CID 87427829
2-Hydroxy-2,3-dioxidothiadiazolidine-2,3-diium
CID 87669408

Frequently Asked Questions

What is the IUPAC name of 2-oxidothiadiazolidine?
The IUPAC name of 2-oxidothiadiazolidine (CID 173095362) is 2-oxidothiadiazolidine.
What is the SMILES notation for 2-oxidothiadiazolidine?
The canonical SMILES for 2-oxidothiadiazolidine is [O-]N1NCCS1.
What is the InChIKey of 2-oxidothiadiazolidine?
The InChIKey is MUASKTGZYSPYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5N2OS/c5-4-3-1-2-6-4/h3H,1-2H2/q-1.
What are the key properties of 2-oxidothiadiazolidine?
2-oxidothiadiazolidine has a molecular weight of 105.14 g/mol, XLogP of -0.05, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxidothiadiazolidine is sourced from PubChem (CID 173095362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).