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93857-62-6 | Thiazol-2-ylammonium hydrogen sulphite
CAS No: 93857-62-6 Catalog No: AG006CK1 MDL No:
Product Description
Catalog Number:
AG006CK1
Chemical Name:
Thiazol-2-ylammonium hydrogen sulphite
CAS Number:
93857-62-6
Molecular Formula:
C3H6N2O3S2
Molecular Weight:
182.2213
IUPAC Name:
hydrogen sulfite;1,3-thiazol-3-ium-2-amine
InChI:
InChI=1S/C3H4N2S.H2O3S/c4-3-5-1-2-6-3;1-4(2)3/h1-2H,(H2,4,5);(H2,1,2,3)
InChI Key:
FRTDJTCZPSPLJY-UHFFFAOYSA-N
SMILES:
[NH3+]c1nccs1.[O-]S(=O)O
EC Number:
299-198-1
Properties
Complexity:
72.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.982g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
182.212g/mol
Monoisotopic Mass:
181.982g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
148A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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