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Home > Nitro Compounds > 146724-09-6
146724-09-6 | 2-[(5-nitropyridin-2-yl)sulfanyl]-1,3-benzothiazole
CAS No: 146724-09-6 Catalog No: AG00IUNK MDL No:MFCD01207050
Product Description
Catalog Number:
AG00IUNK
Chemical Name:
2-[(5-nitropyridin-2-yl)sulfanyl]-1,3-benzothiazole
CAS Number:
146724-09-6
Molecular Formula:
C12H7N3O2S2
Molecular Weight:
289.3329
MDL Number:
MFCD01207050
IUPAC Name:
2-(5-nitropyridin-2-yl)sulfanyl-1,3-benzothiazole
InChI:
InChI=1S/C12H7N3O2S2/c16-15(17)8-5-6-11(13-7-8)19-12-14-9-3-1-2-4-10(9)18-12/h1-7H
InChI Key:
PBCTUBOKJZTANL-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(nc1)Sc1nc2c(s1)cccc2
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.998g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.327g/mol
Monoisotopic Mass:
288.998g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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