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1286047-33-3 | 7(4H)-Benzothiazolone, 2-amino-5,6-dihydro-6-(propylamino)-
CAS No: 1286047-33-3 Catalog No: AG000Y80 MDL No:MFCD19442518
Product Description
Catalog Number:
AG000Y80
Chemical Name:
7(4H)-Benzothiazolone, 2-amino-5,6-dihydro-6-(propylamino)-
CAS Number:
1286047-33-3
Molecular Formula:
C10H15N3OS
Molecular Weight:
225.3106
MDL Number:
MFCD19442518
IUPAC Name:
2-amino-6-(propylamino)-5,6-dihydro-4H-1,3-benzothiazol-7-one
InChI:
InChI=1S/C10H15N3OS/c1-2-5-12-6-3-4-7-9(8(6)14)15-10(11)13-7/h6,12H,2-5H2,1H3,(H2,11,13)
InChI Key:
ZOCPEKBIHMIJSC-UHFFFAOYSA-N
SMILES:
CCCNC1CCc2c(C1=O)sc(n2)N
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.094g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
225.31g/mol
Monoisotopic Mass:
225.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
96.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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