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Home > Thiazole > 1864051-73-9
1864051-73-9 | N-(2-METHYL-1,3-BENZOTHIAZOL-5-YL)GUANIDINE METHANESULFONATE
CAS No: 1864051-73-9 Catalog No: AG01AQBH MDL No:MFCD16653186
Product Description
Catalog Number:
AG01AQBH
Chemical Name:
N-(2-METHYL-1,3-BENZOTHIAZOL-5-YL)GUANIDINE METHANESULFONATE
CAS Number:
1864051-73-9
Molecular Formula:
C10H14N4O3S2
Molecular Weight:
302.3732
MDL Number:
MFCD16653186
IUPAC Name:
methanesulfonic acid;2-(2-methyl-1,3-benzothiazol-5-yl)guanidine
InChI:
InChI=1S/C9H10N4S.CH4O3S/c1-5-12-7-4-6(13-9(10)11)2-3-8(7)14-5;1-5(2,3)4/h2-4H,1H3,(H4,10,11,13);1H3,(H,2,3,4)
InChI Key:
MPZOIMOSTDANPB-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)O.NC(=N)Nc1ccc2c(c1)nc(s2)C
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.051g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
302.367g/mol
Monoisotopic Mass:
302.051g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
168A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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