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1001648-77-6 | 7-Benzothiazolol, 2-amino-4,5,6,7-tetrahydro-6-(propylamino)-, (6S,7S)-, sulfate (1:1)
CAS No: 1001648-77-6 Catalog No: AG00014M MDL No:MFCD18382363
Product Description
Catalog Number:
AG00014M
Chemical Name:
7-Benzothiazolol, 2-amino-4,5,6,7-tetrahydro-6-(propylamino)-, (6S,7S)-, sulfate (1:1)
CAS Number:
1001648-77-6
Molecular Formula:
C10H19N3O5S2
Molecular Weight:
325.4050
MDL Number:
MFCD18382363
IUPAC Name:
2-amino-6-(propylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
InChI:
InChI=1S/C10H17N3OS/c1-2-5-12-6-3-4-7-9(8(6)14)15-10(11)13-7/h6,8,12,14H,2-5H2,1H3,(H2,11,13)
InChI Key:
UWNDKVURLHPSSG-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)O.CCCN[C@H]1CCc2c([C@H]1O)sc(n2)N
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.109g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
227.326g/mol
Monoisotopic Mass:
227.109g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
99.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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