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312500-56-4 | 2-[1-(1,1-Dioxido-1,2-benzisothiazol-3-yl)-hydrazino]ethanol
CAS No: 312500-56-4 Catalog No: AG00I5V0 MDL No:MFCD01446002
Product Description
Catalog Number:
AG00I5V0
Chemical Name:
2-[1-(1,1-Dioxido-1,2-benzisothiazol-3-yl)-hydrazino]ethanol
CAS Number:
312500-56-4
Molecular Formula:
C9H11N3O3S
Molecular Weight:
241.2669
MDL Number:
MFCD01446002
IUPAC Name:
2-[amino-(1,1-dioxo-1,2-benzothiazol-3-yl)amino]ethanol
InChI:
InChI=1S/C9H11N3O3S/c10-12(5-6-13)9-7-3-1-2-4-8(7)16(14,15)11-9/h1-4,13H,5-6,10H2
InChI Key:
PJQIEGCCVWOYIG-UHFFFAOYSA-N
SMILES:
OCCN(C1=NS(=O)(=O)c2c1cccc2)N
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.052g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
241.265g/mol
Monoisotopic Mass:
241.052g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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