ethane-1,2-diamine;sulfurocyanidic acid

C3H9N3O3S — CID 159189423

IUPACethane-1,2-diamine;sulfurocyanidic acid
SMILESN#CS(=O)(=O)O.NCCN
InChIInChI=1S/C2H8N2.CHNO3S/c3-1-2-4;2-1-6(3,4)5/h1-4H2;(H,3,4,5)
InChIKeyKNXAKCBWHVFMKX-UHFFFAOYSA-N
MW167.19 g/mol
LogP-1.74
Rot. Bonds1

About ethane-1,2-diamine;sulfurocyanidic acid

ethane-1,2-diamine;sulfurocyanidic acid (PubChem CID 159189423) has the molecular formula C3H9N3O3S and a molecular weight of 167.19 g/mol. Its IUPAC name is ethane-1,2-diamine;sulfurocyanidic acid.

Molecular Properties

Compound Nameethane-1,2-diamine;sulfurocyanidic acid
PubChem CID159189423
Molecular FormulaC3H9N3O3S
Molecular Weight167.19 g/mol
Exact Mass167.04
IUPAC Nameethane-1,2-diamine;sulfurocyanidic acid
SMILESN#CS(=O)(=O)O.NCCN
InChIInChI=1S/C2H8N2.CHNO3S/c3-1-2-4;2-1-6(3,4)5/h1-4H2;(H,3,4,5)
InChIKeyKNXAKCBWHVFMKX-UHFFFAOYSA-N
XLogP-1.74
TPSA130.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.19
LogP ≤ 5-1.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulfonyl_cyanide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diamine;sulfurocyanidic acid?
The IUPAC name of ethane-1,2-diamine;sulfurocyanidic acid (CID 159189423) is ethane-1,2-diamine;sulfurocyanidic acid.
What is the SMILES notation for ethane-1,2-diamine;sulfurocyanidic acid?
The canonical SMILES for ethane-1,2-diamine;sulfurocyanidic acid is N#CS(=O)(=O)O.NCCN.
What is the InChIKey of ethane-1,2-diamine;sulfurocyanidic acid?
The InChIKey is KNXAKCBWHVFMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8N2.CHNO3S/c3-1-2-4;2-1-6(3,4)5/h1-4H2;(H,3,4,5).
What are the key properties of ethane-1,2-diamine;sulfurocyanidic acid?
ethane-1,2-diamine;sulfurocyanidic acid has a molecular weight of 167.19 g/mol, XLogP of -1.74, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diamine;sulfurocyanidic acid is sourced from PubChem (CID 159189423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).