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854070-55-6 | Benzothiazole,2-(hydrazinylmethyl)-
CAS No: 854070-55-6 Catalog No: AG008FBQ MDL No:MFCD09040664
Product Description
Catalog Number:
AG008FBQ
Chemical Name:
Benzothiazole,2-(hydrazinylmethyl)-
CAS Number:
854070-55-6
Molecular Formula:
C8H9N3S
Molecular Weight:
179.2422
MDL Number:
MFCD09040664
IUPAC Name:
1,3-benzothiazol-2-ylmethylhydrazine
InChI:
InChI=1S/C8H9N3S/c9-10-5-8-11-6-3-1-2-4-7(6)12-8/h1-4,10H,5,9H2
InChI Key:
DCQIWIHEHHAEQU-UHFFFAOYSA-N
SMILES:
NNCc1nc2c(s1)cccc2
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.052g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
179.241g/mol
Monoisotopic Mass:
179.052g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
79.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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