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1033463-26-1 | 3-[1-(4-methyl-1,3-benzothiazol-2-yl)hydrazin-1-yl]propanenitrile
CAS No: 1033463-26-1 Catalog No: AG00ITZ5 MDL No:MFCD10758075
Product Description
Catalog Number:
AG00ITZ5
Chemical Name:
3-[1-(4-methyl-1,3-benzothiazol-2-yl)hydrazin-1-yl]propanenitrile
CAS Number:
1033463-26-1
Molecular Formula:
C11H12N4S
Molecular Weight:
232.3048
MDL Number:
MFCD10758075
IUPAC Name:
3-[amino-(4-methyl-1,3-benzothiazol-2-yl)amino]propanenitrile
InChI:
InChI=1S/C11H12N4S/c1-8-4-2-5-9-10(8)14-11(16-9)15(13)7-3-6-12/h2,4-5H,3,7,13H2,1H3
InChI Key:
XVPISEGGGXAGJC-UHFFFAOYSA-N
SMILES:
N#CCCN(c1sc2c(n1)c(C)ccc2)N
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.078g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.305g/mol
Monoisotopic Mass:
232.078g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
94.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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