CAS 2937-53-3 Thiosulfuric acid (H2S2O3), S-(2-aminoethyl) ester (HCID 76242)

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Basic information

CAS: 2937-53-3
Standard SMILES: NCCSS(=O)(=O)O
InChIKey: MXTPRJXPLFGHEE-UHFFFAOYSA-N
Molecular formula: C2H7NO3S2
Average molar mass: 157.22 g/mol
Monoisotopic mass: 156.98673508

Overview

RN given refers to unlabeled parent cpd

Names & identifiers

Preferred name: Thiosulfuric acid (H2S2O3), S-(2-aminoethyl) ester
IUPAC: 1-amino-2-sulfosulfanylethane
English name: 2-Aminoethanethiolsulfuric acid
Molecular formula: C2H7NO3S2
Molecular weight: 157.21

Names & synonyms

2937-53-32-Aminoethanethiolsulfuric acidCysteaminesulfonic acidThiosulfuric acid (H2S2O3), S-(2-aminoethyl) ester2-Aminoethanethiosulfuric acidThiosulfuric acid, S-(2-aminoethyl) ester2-Aminoethanethiol hydrogen sulfate (ester)NSC-202840DTXSID9062720Z63G378ME6RefChem:85376DTXCID2037974

Show more names

wr361usafek-8413s-sulfo-cysteamincysteamines-sulfatecysteaminesulfonicacid2-amino-ethanethiosulfate2-aminoethylthiosulfuricacid2-aminoethanethiosulphonicacid2-mercaptoethylaminethiosulfate

220-917-1[(2-aminoethyl)sulfanyl]sulfonic acidCysteamine S-sulfate2-Mercaptoethylamine thiosulfateCysteamine, S-sulfo-1-amino-2-sulfosulfanylethane2-Aminoethylthiosulfuric acid2-Aminoethanethiosulphonic acid

Database identifiers

CAS

Properties

Computed structural properties

XLogP: -3.7
Topological polar surface area: 114 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 8
Formal charge: 0
Complexity: 134

Physicochemical properties

Melting point: 191 · 191-194 °C
Density: 1.483 · 1.483 (estimate)
refractive index: 1.513 · 1.5130 (estimate)
pka: -4.8 · -4.80±0.30(Predicted)
CAS DataBase Reference: 2937 · 2937-53-3
FDA UNII: 63 G378ME6 · Z63G378ME6
EPA Substance Registry System: Thiosulfuric acid (H2S2O3), S-(2-aminoethyl) ester (2937-53-3)
Safety Statements: 24 · 24/25
TSCA: TSCA listed
HS Code: 29309099 · 29309099