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100476-97-9 | 1-Propanethione, 3-(1H-indazol-3-ylamino)-1-(4-morpholinyl)-
CAS No: 100476-97-9 Catalog No: AG000231 MDL No:
Product Description
Catalog Number:
AG000231
Chemical Name:
1-Propanethione, 3-(1H-indazol-3-ylamino)-1-(4-morpholinyl)-
CAS Number:
100476-97-9
Molecular Formula:
C14H18N4OS
Molecular Weight:
290.3839
IUPAC Name:
3-(1H-indazol-3-ylamino)-1-morpholin-4-ylpropane-1-thione
InChI:
InChI=1S/C14H18N4OS/c20-13(18-7-9-19-10-8-18)5-6-15-14-11-3-1-2-4-12(11)16-17-14/h1-4H,5-10H2,(H2,15,16,17)
InChI Key:
DFTRTRPAESPYFO-UHFFFAOYSA-N
SMILES:
S=C(N1CCOCC1)CCNc1n[nH]c2c1cccc2
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.12g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
290.385g/mol
Monoisotopic Mass:
290.12g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
85.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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