ethanamine;sulfurothioic O-acid

C2H9NO3S2 — CID 22023273

IUPACethanamine;sulfurothioic O-acid
SMILESCCN.O=S(O)(O)=S
InChIInChI=1S/C2H7N.H2O3S2/c1-2-3;1-5(2,3)4/h2-3H2,1H3;(H2,1,2,3,4)
InChIKeyIMUZUYFICVDSOD-UHFFFAOYSA-N
MW159.23 g/mol
LogP-0.36
Rot. Bonds

About ethanamine;sulfurothioic O-acid

ethanamine;sulfurothioic O-acid (PubChem CID 22023273) has the molecular formula C2H9NO3S2 and a molecular weight of 159.23 g/mol. Its IUPAC name is ethanamine;sulfurothioic O-acid.

Molecular Properties

Compound Nameethanamine;sulfurothioic O-acid
PubChem CID22023273
Molecular FormulaC2H9NO3S2
Molecular Weight159.23 g/mol
Exact Mass159.00
IUPAC Nameethanamine;sulfurothioic O-acid
SMILESCCN.O=S(O)(O)=S
InChIInChI=1S/C2H7N.H2O3S2/c1-2-3;1-5(2,3)4/h2-3H2,1H3;(H2,1,2,3,4)
InChIKeyIMUZUYFICVDSOD-UHFFFAOYSA-N
XLogP-0.36
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethanamine;sulfurothioic O-acid?
The IUPAC name of ethanamine;sulfurothioic O-acid (CID 22023273) is ethanamine;sulfurothioic O-acid.
What is the SMILES notation for ethanamine;sulfurothioic O-acid?
The canonical SMILES for ethanamine;sulfurothioic O-acid is CCN.O=S(O)(O)=S.
What is the InChIKey of ethanamine;sulfurothioic O-acid?
The InChIKey is IMUZUYFICVDSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7N.H2O3S2/c1-2-3;1-5(2,3)4/h2-3H2,1H3;(H2,1,2,3,4).
What are the key properties of ethanamine;sulfurothioic O-acid?
ethanamine;sulfurothioic O-acid has a molecular weight of 159.23 g/mol, XLogP of -0.36, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethanamine;sulfurothioic O-acid is sourced from PubChem (CID 22023273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).