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119541-13-8 | 1,5-Benzothiazepin-4-amine, 2,3-dihydro-N-hydroxy-
CAS No: 119541-13-8 Catalog No: AG000IXS MDL No:
Product Description
Catalog Number:
AG000IXS
Chemical Name:
1,5-Benzothiazepin-4-amine, 2,3-dihydro-N-hydroxy-
CAS Number:
119541-13-8
Molecular Formula:
C9H10N2OS
Molecular Weight:
194.2535
IUPAC Name:
N-(2,3-dihydro-1,5-benzothiazepin-4-yl)hydroxylamine
InChI:
InChI=1S/C9H10N2OS/c12-11-9-5-6-13-8-4-2-1-3-7(8)10-9/h1-4,12H,5-6H2,(H,10,11)
InChI Key:
BSIHFMUJWOYWCB-UHFFFAOYSA-N
SMILES:
ONC1=Nc2ccccc2SCC1
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.051g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
194.252g/mol
Monoisotopic Mass:
194.051g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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