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Structure

2-Aminoethanethiosulfonic s-acid

CAS
2937-54-4
Catalog Number
ACM2937544
Category
Other Products; Main Products
Molecular Weight
141.21
Molecular Formula
C2H7NO2S2

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Specification

Synonyms
Thiotaurine, 2-Aminoethanethiosulfonic acid, Sodium 2-aminosulphonothioacetate, 2937-54-4 (Parent), EINECS 220-918-7, EINECS 250-888-0, CID6858023, 31999-89-0 (mono-hydrochloride salt), Ethanesulfonothioic acid, 2-amino-, monosodium salt, 2937-54-4, 31999-89-0
IUPAC Name
2-hydroxysulfonothioylethanamine
Canonical SMILES
C(CS(=O)(=S)O)N
InChI Key
SHWIJIJNPFXOFS-UHFFFAOYSA-N
Boiling Point
324.6ºC at 760mmHg
Flash Point
150.1°C
Density
1.541 g/cm³
Solubility
water, 1e+006 mg/L @ 25 °C (est)
Appearance
White powder
Assay
0.98
EC Number
220-918-7
Exact Mass
140.99200
H-Bond Acceptor
3
H-Bond Donor
2
Packaging
1 kg
Refractive Index
1.622
What is the molecular formula of 2-Aminoethanethiosulfonic s-acid?

The molecular formula is C2H7NO2S2.

What is the molecular weight of 2-Aminoethanethiosulfonic s-acid?

The molecular weight is 141.22 g/mol.

When was 2-Aminoethanethiosulfonic s-acid created?

It was created on January 24, 2012.

When was 2-Aminoethanethiosulfonic s-acid last modified?

It was last modified on October 21, 2023.

What is the IUPAC name of 2-Aminoethanethiosulfonic s-acid?

The IUPAC name is 1-hydroxysulfonothioyl-N-methylmethanamine.

What is the InChI of 2-Aminoethanethiosulfonic s-acid?

The InChI is InChI=1S/C2H7NO2S2.

What is the InChIKey of 2-Aminoethanethiosulfonic s-acid?

The InChIKey is KOBLWZJPXTVMEI-UHFFFAOYSA-N.

What is the canonical SMILES of 2-Aminoethanethiosulfonic s-acid?

The canonical SMILES is CNCS(=O)(=S)O.

What is the hydrogen bond donor count of 2-Aminoethanethiosulfonic s-acid?

The hydrogen bond donor count is 2.

What is the hydrogen bond acceptor count of 2-Aminoethanethiosulfonic s-acid?

The hydrogen bond acceptor count is 4.

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