1,1-dihydroxy-3-oxidothiadiazolidin-3-ium

C2H8N2O3S — CID 87182120

IUPAC1,1-dihydroxy-3-oxidothiadiazolidin-3-ium
SMILES[O-][NH+]1CCS(O)(O)N1
InChIInChI=1S/C2H8N2O3S/c5-4-1-2-8(6,7)3-4/h3-4,6-7H,1-2H2
InChIKeyWCVXDWWMDWKPHH-UHFFFAOYSA-N
MW140.16 g/mol
LogP-1.45
Rot. Bonds

About 1,1-dihydroxy-3-oxidothiadiazolidin-3-ium

1,1-dihydroxy-3-oxidothiadiazolidin-3-ium (PubChem CID 87182120) has the molecular formula C2H8N2O3S and a molecular weight of 140.16 g/mol. Its IUPAC name is 1,1-dihydroxy-3-oxidothiadiazolidin-3-ium.

Molecular Properties

Compound Name1,1-dihydroxy-3-oxidothiadiazolidin-3-ium
PubChem CID87182120
Molecular FormulaC2H8N2O3S
Molecular Weight140.16 g/mol
Exact Mass140.03
IUPAC Name1,1-dihydroxy-3-oxidothiadiazolidin-3-ium
SMILES[O-][NH+]1CCS(O)(O)N1
InChIInChI=1S/C2H8N2O3S/c5-4-1-2-8(6,7)3-4/h3-4,6-7H,1-2H2
InChIKeyWCVXDWWMDWKPHH-UHFFFAOYSA-N
XLogP-1.45
TPSA79.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.16
LogP ≤ 5-1.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1-dihydroxy-3-oxidothiadiazolidin-3-ium?
The IUPAC name of 1,1-dihydroxy-3-oxidothiadiazolidin-3-ium (CID 87182120) is 1,1-dihydroxy-3-oxidothiadiazolidin-3-ium.
What is the SMILES notation for 1,1-dihydroxy-3-oxidothiadiazolidin-3-ium?
The canonical SMILES for 1,1-dihydroxy-3-oxidothiadiazolidin-3-ium is [O-][NH+]1CCS(O)(O)N1.
What is the InChIKey of 1,1-dihydroxy-3-oxidothiadiazolidin-3-ium?
The InChIKey is WCVXDWWMDWKPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8N2O3S/c5-4-1-2-8(6,7)3-4/h3-4,6-7H,1-2H2.
What are the key properties of 1,1-dihydroxy-3-oxidothiadiazolidin-3-ium?
1,1-dihydroxy-3-oxidothiadiazolidin-3-ium has a molecular weight of 140.16 g/mol, XLogP of -1.45, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dihydroxy-3-oxidothiadiazolidin-3-ium is sourced from PubChem (CID 87182120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).