Taurinamide

HCID 101263

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 4378-70-5
Standard SMILES: NCCS(N)(=O)=O
InChIKey: MVQXBXLDXSQURK-UHFFFAOYSA-N
Molecular formula: C2H8N2O2S
Average molar mass: 124.17 g/mol
Monoisotopic mass: 124.0306485

Names & identifiers

Preferred name: Taurinamide
IUPAC: 2-aminoethanesulfonamide
English name: 2-Amino-ethanesulfonamide
Molecular formula: C2H8N2O2S
Molecular weight: 124.16

Names & synonyms

4378-70-5taurinamideAminoethanesulfonamideNTG0L34CGGNSC-403678RefChem:10994012-aminoethanesulfonamide2-amino-ethanesulfonamideEthanesulfonamide, 2-amino-2-aminoethane-1-sulfonamideMFCD080618252- Sulfamoylethylamine

Show more names

NSC 403678TaurenamideTaurenamide D42-AMINOSULPHONAMIDE2-Aminoethanesulfomide2-SULPHAMOYLETHYLAMINE2-AMINOETHYLSULFONAMIDE

CHEMBL4461091UNII-NTG0L34CGGNSC4036782-sulfamoylethylamine2-AminoethanesulphonamideTaurolithocholic Impurity 8SCHEMBL221298SCHEMBL1805303

Database identifiers

CAS: 4378-70-5
PubChem CID: 101263
DTXSID: DTXSID30195933
ChEMBL: CHEMBL4461091
UNII: NTG0L34CGG
Nikkaji: J342.930J

Properties

Computed structural properties

XLogP: -2
Topological polar surface area: 94.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 7
Formal charge: 0
Complexity: 121

Physicochemical properties

Melting point: 90 · 90-100 °C
Boiling point: 303.7 · 303.7±44.0 °C(Predicted)
Density: 1.38 · 1.380±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: 10.43 · 10.43±0.60(Predicted)
FDA UNII: 0 L34CGG · NTG0L34CGG
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 280 · P280-P305+P351+P338-P310
Hazard Codes: Xi
HazardClass: IRRITANT
HS Code: 2935909099 · 2935909099

Safety & regulation

Safety data

hs_code: 2935909099
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: Xi
hazard_class: IRRITANT
Hazard statements: H314
Precautionary statements: P280-P305+P351+P338-P310

Chemistry & industry

Applications · 1 item

UsesTaurinamide-D4 is a labelled analogue of Taurinamide (T007845). Taurinamide is a major metabolite of Taurultam (T009600), a compound that exhibits bacteriocidal effects on Escherichia coli and is also a degradation product of Taurolidine (T009050). Taurinamide is a naturally occurring aminosulphonic acid that exhibits antibacterial and anti-endotoxin activities.