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CAS No.: | 67146-22-9 |
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Name: | 5-Mercapto-1H-tetrazole-1-methane sulphonic acid |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C2H4N4O3S2 |
Molecular Weight: | 196.211 |
Synonyms: | 1-Sulfomethyl-5-mercapto-1,2,3,4-tetrazole;5-Mercapto-1-tetrazolemethanesulfonic acid; |
EINECS: | 266-586-7 |
Density: | 2.246 g/cm3 |
Melting Point: | 155-158 °C(lit.) |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 145.15000 |
LogP: | -0.11210 |
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IUPAC Name: (5-Sulfanylidene-2H-tetrazol-1-yl)methanesulfonic acid
Molecular Formula: C2H4N4O3S2
Molecular Weight: 196.21 g/mol
Canonical SMILES: C(N1C(=S)N=NN1)S(=O)(=O)O
InChI: InChI=1S/C2H4N4O3S2/c7-11(8,9)1-6-2(10)3-4-5-6/h1H2,(H,3,5,10)(H,7,8,9)
EINECS: 266-586-7
Product Categories: Organic acids; API intermediates; Building Blocks; Heterocyclic Building Blocks; Tetrazoles
XLogP3-AA: 0.2
H-Bond Donor: 2
H-Bond Acceptor: 5
Index of Refraction: 1.887
Molar Refractivity: 40.25 cm3
Molar Volume: 87.3 cm3
Polarizability: 15.95×10-24 cm3
Surface Tension: 114.4 dyne/cm
Density: 2.24 g/cm3
Melting Point of 5-Mercapto-1H-tetrazole-1-methane sulphonic acid (CAS NO.67146-22-9): 155-158 °C(lit.)
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36: Wear suitable protective clothing.
WGK Germany of 5-Mercapto-1H-tetrazole-1-methane sulphonic acid (CAS NO.67146-22-9): 3
5-Mercapto-1H-tetrazole-1-methane sulphonic acid (CAS NO.67146-22-9), its Synonyms are 2,5-Dihydro-5-thioxo-1H-tetrazole-1-methanesulphonic acid ; 5-Mercaptotetrazole-1-methanesulphonic acid ; 5-Mercapto-1,2,3,4-tetrazole-1-methyl sulfonic acid ; 5-Mercapto-1H-tetrazole-1-methanesulfonic acid ; 5-Mercaptotetrazolemethanesulfonicacid ; 2,5-Dihydro-5-thio-1H-tetrazole-1-methane sulfonic acid .