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58139-51-8 | 4-(4-nitrothiophen-2-yl)thiazol-2-amine
CAS No: 58139-51-8 Catalog No: AG01FMYH MDL No:MFCD01681537
Product Description
Catalog Number:
AG01FMYH
Chemical Name:
4-(4-nitrothiophen-2-yl)thiazol-2-amine
CAS Number:
58139-51-8
Molecular Formula:
C7H5N3O2S2
Molecular Weight:
227.2635
MDL Number:
MFCD01681537
IUPAC Name:
4-(4-nitrothiophen-2-yl)-1,3-thiazol-2-amine
InChI:
InChI=1S/C7H5N3O2S2/c8-7-9-5(3-14-7)6-1-4(2-13-6)10(11)12/h1-3H,(H2,8,9)
InChI Key:
NHDCKELICOIXSW-UHFFFAOYSA-N
SMILES:
Nc1scc(n1)c1scc(c1)[N+](=O)[O-]
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.982g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.256g/mol
Monoisotopic Mass:
226.982g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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