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306936-76-5 | Benzenamine, 2-[(5-nitro-2-thiazolyl)thio]-
CAS No: 306936-76-5 Catalog No: AG0030XB MDL No:
Product Description
Catalog Number:
AG0030XB
Chemical Name:
Benzenamine, 2-[(5-nitro-2-thiazolyl)thio]-
CAS Number:
306936-76-5
Molecular Formula:
C9H7N3O2S2
Molecular Weight:
253.3008
IUPAC Name:
2-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]aniline
InChI:
InChI=1S/C9H7N3O2S2/c10-6-3-1-2-4-7(6)15-9-11-5-8(16-9)12(13)14/h1-5H,10H2
InChI Key:
HMGOYRDBYTYTKZ-UHFFFAOYSA-N
SMILES:
Nc1ccccc1Sc1ncc(s1)[N+](=O)[O-]
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.998g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.294g/mol
Monoisotopic Mass:
252.998g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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