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1313911-19-1 | Ethanone, 1-(2-amino-5-benzothiazolyl)-
CAS No: 1313911-19-1 Catalog No: AG000W2U MDL No:
Product Description
Catalog Number:
AG000W2U
Chemical Name:
Ethanone, 1-(2-amino-5-benzothiazolyl)-
CAS Number:
1313911-19-1
Molecular Formula:
C9H8N2OS
Molecular Weight:
192.2376
IUPAC Name:
1-(2-amino-1,3-benzothiazol-5-yl)ethanone
InChI:
InChI=1S/C9H8N2OS/c1-5(12)6-2-3-8-7(4-6)11-9(10)13-8/h2-4H,1H3,(H2,10,11)
InChI Key:
XNDADMHZJWWAIM-UHFFFAOYSA-N
SMILES:
Nc1sc2c(n1)cc(cc2)C(=O)C
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.036g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
192.236g/mol
Monoisotopic Mass:
192.036g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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