azane;ethanol;sulfurothioic O-acid

C2H11NO4S2 — CID 175527325

IUPACazane;ethanol;sulfurothioic O-acid
SMILESCCO.N.O=S(O)(O)=S
InChIInChI=1S/C2H6O.H3N.H2O3S2/c1-2-3;;1-5(2,3)4/h3H,2H2,1H3;1H3;(H2,1,2,3,4)
InChIKeyLTZPAODHUSBMLQ-UHFFFAOYSA-N
MW177.25 g/mol
LogP-0.16
Rot. Bonds

About azane;ethanol;sulfurothioic O-acid

azane;ethanol;sulfurothioic O-acid (PubChem CID 175527325) has the molecular formula C2H11NO4S2 and a molecular weight of 177.25 g/mol. Its IUPAC name is azane;ethanol;sulfurothioic O-acid.

Molecular Properties

Compound Nameazane;ethanol;sulfurothioic O-acid
PubChem CID175527325
Molecular FormulaC2H11NO4S2
Molecular Weight177.25 g/mol
Exact Mass177.01
IUPAC Nameazane;ethanol;sulfurothioic O-acid
SMILESCCO.N.O=S(O)(O)=S
InChIInChI=1S/C2H6O.H3N.H2O3S2/c1-2-3;;1-5(2,3)4/h3H,2H2,1H3;1H3;(H2,1,2,3,4)
InChIKeyLTZPAODHUSBMLQ-UHFFFAOYSA-N
XLogP-0.16
TPSA112.76 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 5-0.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of azane;ethanol;sulfurothioic O-acid?
The IUPAC name of azane;ethanol;sulfurothioic O-acid (CID 175527325) is azane;ethanol;sulfurothioic O-acid.
What is the SMILES notation for azane;ethanol;sulfurothioic O-acid?
The canonical SMILES for azane;ethanol;sulfurothioic O-acid is CCO.N.O=S(O)(O)=S.
What is the InChIKey of azane;ethanol;sulfurothioic O-acid?
The InChIKey is LTZPAODHUSBMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O.H3N.H2O3S2/c1-2-3;;1-5(2,3)4/h3H,2H2,1H3;1H3;(H2,1,2,3,4).
What are the key properties of azane;ethanol;sulfurothioic O-acid?
azane;ethanol;sulfurothioic O-acid has a molecular weight of 177.25 g/mol, XLogP of -0.16, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;ethanol;sulfurothioic O-acid is sourced from PubChem (CID 175527325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).