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306276-93-7 | 5-Benzothiazolecarboxylic acid, 4-methyl-2-(methylamino)-
CAS No: 306276-93-7 Catalog No: AG0030PM MDL No:
Product Description
Catalog Number:
AG0030PM
Chemical Name:
5-Benzothiazolecarboxylic acid, 4-methyl-2-(methylamino)-
CAS Number:
306276-93-7
Molecular Formula:
C10H10N2O2S
Molecular Weight:
222.2636
IUPAC Name:
4-methyl-2-(methylamino)-1,3-benzothiazole-5-carboxylic acid
InChI:
InChI=1S/C10H10N2O2S/c1-5-6(9(13)14)3-4-7-8(5)12-10(11-2)15-7/h3-4H,1-2H3,(H,11,12)(H,13,14)
InChI Key:
ADHAIUNWSZPFBC-UHFFFAOYSA-N
SMILES:
CNc1sc2c(n1)c(C)c(cc2)C(=O)O
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.046g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
222.262g/mol
Monoisotopic Mass:
222.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
90.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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