acetonitrile;sulfamic acid

C2H6N2O3S — CID 157342367

IUPACacetonitrile;sulfamic acid
SMILESCC#N.NS(=O)(=O)O
InChIInChI=1S/C2H3N.H3NO3S/c1-2-3;1-5(2,3)4/h1H3;(H3,1,2,3,4)
InChIKeyBGNXDEXAPHDRBW-UHFFFAOYSA-N
MW138.15 g/mol
LogP-0.72
Rot. Bonds

About acetonitrile;sulfamic acid

acetonitrile;sulfamic acid (PubChem CID 157342367) has the molecular formula C2H6N2O3S and a molecular weight of 138.15 g/mol. Its IUPAC name is acetonitrile;sulfamic acid.

Molecular Properties

Compound Nameacetonitrile;sulfamic acid
PubChem CID157342367
Molecular FormulaC2H6N2O3S
Molecular Weight138.15 g/mol
Exact Mass138.01
IUPAC Nameacetonitrile;sulfamic acid
SMILESCC#N.NS(=O)(=O)O
InChIInChI=1S/C2H3N.H3NO3S/c1-2-3;1-5(2,3)4/h1H3;(H3,1,2,3,4)
InChIKeyBGNXDEXAPHDRBW-UHFFFAOYSA-N
XLogP-0.72
TPSA104.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.15
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

bis(acetonitrile);sulfuric acid
CID 174658291
ethane;sulfamic acid
CID 172846940
acetonitrile;cobalt;bis(trifluoromethanesulfonamide)
CID 175334387
strontium;hydride;sulfamic acid;hydrate
CID 175447547
acetonitrile;azane;sulfooxy hydrogen sulfate
CID 174690756
azane;sulfamic acid
CID 172811731
sulfamic acid;yttrium
CID 159754211
methane;sulfamic acid
CID 87277660
CID 131847531
CID 131847531
acetonitrile;nitrous amide
CID 19755414
azane;sulfamic acid;sulfamide
CID 174286592
nickel;sulfamic acid;sulfuric acid
CID 173415674

Frequently Asked Questions

What is the IUPAC name of acetonitrile;sulfamic acid?
The IUPAC name of acetonitrile;sulfamic acid (CID 157342367) is acetonitrile;sulfamic acid.
What is the SMILES notation for acetonitrile;sulfamic acid?
The canonical SMILES for acetonitrile;sulfamic acid is CC#N.NS(=O)(=O)O.
What is the InChIKey of acetonitrile;sulfamic acid?
The InChIKey is BGNXDEXAPHDRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3N.H3NO3S/c1-2-3;1-5(2,3)4/h1H3;(H3,1,2,3,4).
What are the key properties of acetonitrile;sulfamic acid?
acetonitrile;sulfamic acid has a molecular weight of 138.15 g/mol, XLogP of -0.72, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;sulfamic acid is sourced from PubChem (CID 157342367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).