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122500-80-5 | Benzothiazole, 2-(5-methyl-1H-pyrazol-1-yl)- (9CI)
CAS No: 122500-80-5 Catalog No: AG00A3PP MDL No:MFCD18826434
Product Description
Catalog Number:
AG00A3PP
Chemical Name:
Benzothiazole, 2-(5-methyl-1H-pyrazol-1-yl)- (9CI)
CAS Number:
122500-80-5
Molecular Formula:
C11H9N3S
Molecular Weight:
215.2743
MDL Number:
MFCD18826434
IUPAC Name:
2-(5-methylpyrazol-1-yl)-1,3-benzothiazole
InChI:
InChI=1S/C11H9N3S/c1-8-6-7-12-14(8)11-13-9-4-2-3-5-10(9)15-11/h2-7H,1H3
InChI Key:
YTZWLVAXZJMVEF-UHFFFAOYSA-N
SMILES:
Cc1ccnn1c1nc2c(s1)cccc2
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.052g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.274g/mol
Monoisotopic Mass:
215.052g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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