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20503-39-3 | Benzo[b]thiophen-6-amine, 2,3-dihydro-, 1,1-dioxide
CAS No: 20503-39-3 Catalog No: AG0029TK MDL No:MFCD06808691
Product Description
Catalog Number:
AG0029TK
Chemical Name:
Benzo[b]thiophen-6-amine, 2,3-dihydro-, 1,1-dioxide
CAS Number:
20503-39-3
Molecular Formula:
C8H9NO2S
Molecular Weight:
183.2276
MDL Number:
MFCD06808691
IUPAC Name:
1,1-dioxo-2,3-dihydro-1-benzothiophen-6-amine
InChI:
InChI=1S/C8H9NO2S/c9-7-2-1-6-3-4-12(10,11)8(6)5-7/h1-2,5H,3-4,9H2
InChI Key:
NDCJFBRTZJCWDQ-UHFFFAOYSA-N
SMILES:
Nc1ccc2c(c1)S(=O)(=O)CC2
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.035g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
183.225g/mol
Monoisotopic Mass:
183.035g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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