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Home > Pyridines > 154404-89-4
154404-89-4 | 2-(3-pyridinyl)-5,6-dihydro-1,3-benzothiazol-7(4H)-one
CAS No: 154404-89-4 Catalog No: AG00J2N8 MDL No:MFCD16677187
Product Description
Catalog Number:
AG00J2N8
Chemical Name:
2-(3-pyridinyl)-5,6-dihydro-1,3-benzothiazol-7(4H)-one
CAS Number:
154404-89-4
Molecular Formula:
C12H10N2OS
Molecular Weight:
230.2856
MDL Number:
MFCD16677187
IUPAC Name:
2-pyridin-3-yl-5,6-dihydro-4H-1,3-benzothiazol-7-one
InChI:
InChI=1S/C12H10N2OS/c15-10-5-1-4-9-11(10)16-12(14-9)8-3-2-6-13-7-8/h2-3,6-7H,1,4-5H2
InChI Key:
COKVUYJORMEUSU-UHFFFAOYSA-N
SMILES:
O=C1CCCc2c1sc(n2)c1cccnc1
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.051g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.285g/mol
Monoisotopic Mass:
230.051g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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