IUPAC Name: 3-carbamimidoylsulfanylpropane-1-sulfonic acid
Empirical Formula: C4H10N2O3S2
Molecular Weight: 198.2638g/mol
EINECS: 244-520-8
Structure of 3-S-Isothiuronium propyl sulfonate (CAS NO.21668-81-5):
Index of Refraction: 1.623
Molar Refractivity: 43.22 cm3
Molar Volume: 122.5 cm3
Polarizability: 17.13×10-24cm3
Surface Tension: 74 dyne/cm
Density: 1.61 g/cm3
Physical Appearance: White crystalline powder
Product Categories: Organic acids;Organic Building Blocks;Sulfonic/Sulfinic Acids;Sulfur Compounds
Canonical SMILES: C(CSC(=N)N)CS(=O)(=O)O
InChI: InChI=1S/C4H10N2O3S2/c5-4(6)10-2-1-3-11(7,8)9/h1-3H2,(H3,5,6)(H,7,8,9)
InChIKey: MQLJIOAPXLAGAP-UHFFFAOYSA-N
Hazard Codes: C
Risk Statements: 34
R34:Causes burns.
Safety Statements: 26-36/37/39-45
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: UN 3261 8/PG 2
3-S-Isothiuronium propyl sulfonate , its cas register number is 21668-81-5. It also can be called 1-Propanesulfonic acid, 3-((aminoiminomethyl)thio)- ; EINECS 244-520-8 ; 3-((Aminoiminomethyl)thio)propanesulphonic acid . 3-S-Isothiuronium propyl sulfonate (CAS NO.21668-81-5) may cause burns.
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