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86691-41-0 | Propanenitrile, 3-[1-(2-benzothiazolyl)hydrazino]-
CAS No: 86691-41-0 Catalog No: AG004TCL MDL No:MFCD00099326
Product Description
Catalog Number:
AG004TCL
Chemical Name:
Propanenitrile, 3-[1-(2-benzothiazolyl)hydrazino]-
CAS Number:
86691-41-0
Molecular Formula:
C10H10N4S
Molecular Weight:
218.2782
MDL Number:
MFCD00099326
IUPAC Name:
3-[amino(1,3-benzothiazol-2-yl)amino]propanenitrile
InChI:
InChI=1S/C10H10N4S/c11-6-3-7-14(12)10-13-8-4-1-2-5-9(8)15-10/h1-2,4-5H,3,7,12H2
InChI Key:
CSGRBQHJJOBWPO-UHFFFAOYSA-N
SMILES:
N#CCCN(c1nc2c(s1)cccc2)N
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.063g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.278g/mol
Monoisotopic Mass:
218.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
94.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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