CID 57450072

H2N2O2S2 — CID 57450072

IUPAC—
SMILESO=S(O)NN=S
InChIInChI=1S/H2N2O2S2/c3-6(4)2-1-5/h(H,2,5)(H,3,4)
InChIKeyJUBFMQJEDOFOCT-UHFFFAOYSA-N
MW126.16 g/mol
LogP-0.64
Rot. Bonds2

About CID 57450072

CID 57450072 (PubChem CID 57450072) has the molecular formula H2N2O2S2 and a molecular weight of 126.16 g/mol.

Molecular Properties

Compound NameCID 57450072
PubChem CID57450072
Molecular FormulaH2N2O2S2
Molecular Weight126.16 g/mol
Exact Mass125.96
IUPAC Name—
SMILESO=S(O)NN=S
InChIInChI=1S/H2N2O2S2/c3-6(4)2-1-5/h(H,2,5)(H,3,4)
InChIKeyJUBFMQJEDOFOCT-UHFFFAOYSA-N
XLogP-0.64
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

[[Dihydroxy(oxo)-lambda6-sulfanylidene]amino]diazene
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Frequently Asked Questions

What is the IUPAC name of CID 57450072?
The IUPAC name of CID 57450072 (CID 57450072) is not available.
What is the SMILES notation for CID 57450072?
The canonical SMILES for CID 57450072 is O=S(O)NN=S.
What is the InChIKey of CID 57450072?
The InChIKey is JUBFMQJEDOFOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/H2N2O2S2/c3-6(4)2-1-5/h(H,2,5)(H,3,4).
What are the key properties of CID 57450072?
CID 57450072 has a molecular weight of 126.16 g/mol, XLogP of -0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57450072 is sourced from PubChem (CID 57450072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).