2-hydroxysulfonothioylethanamine

C2H7NO2S2 — CID 6858023

IUPAC2-hydroxysulfonothioylethanamine
SMILESNCCS(=O)(O)=S
InChIInChI=1S/C2H7NO2S2/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)
InChIKeySHWIJIJNPFXOFS-UHFFFAOYSA-N
MW141.22 g/mol
LogP-0.84
Rot. Bonds2

About 2-hydroxysulfonothioylethanamine

2-hydroxysulfonothioylethanamine (PubChem CID 6858023) has the molecular formula C2H7NO2S2 and a molecular weight of 141.22 g/mol. Its IUPAC name is 2-hydroxysulfonothioylethanamine.

Molecular Properties

Compound Name2-hydroxysulfonothioylethanamine
PubChem CID6858023
Molecular FormulaC2H7NO2S2
Molecular Weight141.22 g/mol
Exact Mass140.99
IUPAC Name2-hydroxysulfonothioylethanamine
SMILESNCCS(=O)(O)=S
InChIInChI=1S/C2H7NO2S2/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)
InChIKeySHWIJIJNPFXOFS-UHFFFAOYSA-N
XLogP-0.84
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.22
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Taurine
CID 1123
Tramiprosate
CID 1646
Hypotaurine
CID 107812
N-Chlorotaurine
CID 108018
2-Ammonioethanesulfonate
CID 4068592
Thiosulfuric acid (H2S2O3), S-(2-aminoethyl) ester
CID 76242
2-Ammonioethanesulfinate
CID 25244088
2-Aminoethanesulfonate
CID 5460761
Homohypotaurine
CID 193060
2-(~15~N)Aminoethane-1-sulfonic acid
CID 12359084
N-Bromotaurine
CID 3016734
Taurine Hydrochloride
CID 22174439

Frequently Asked Questions

What is the IUPAC name of 2-hydroxysulfonothioylethanamine?
The IUPAC name of 2-hydroxysulfonothioylethanamine (CID 6858023) is 2-hydroxysulfonothioylethanamine.
What is the SMILES notation for 2-hydroxysulfonothioylethanamine?
The canonical SMILES for 2-hydroxysulfonothioylethanamine is NCCS(=O)(O)=S.
What is the InChIKey of 2-hydroxysulfonothioylethanamine?
The InChIKey is SHWIJIJNPFXOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7NO2S2/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6).
What are the key properties of 2-hydroxysulfonothioylethanamine?
2-hydroxysulfonothioylethanamine has a molecular weight of 141.22 g/mol, XLogP of -0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxysulfonothioylethanamine is sourced from PubChem (CID 6858023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).