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Home > Nitro Compounds > 16865-27-3
16865-27-3 | 1,3,4-Thiadiazole-2(3H)-thione, 5-(5-nitro-2-furanyl)-
CAS No: 16865-27-3 Catalog No: AG001Y7M MDL No:MFCD00829129
Product Description
Catalog Number:
AG001Y7M
Chemical Name:
1,3,4-Thiadiazole-2(3H)-thione, 5-(5-nitro-2-furanyl)-
CAS Number:
16865-27-3
Molecular Formula:
C6H3N3O3S2
Molecular Weight:
229.2363
MDL Number:
MFCD00829129
IUPAC Name:
5-(5-nitrofuran-2-yl)-3H-1,3,4-thiadiazole-2-thione
InChI:
InChI=1S/C6H3N3O3S2/c10-9(11)4-2-1-3(12-4)5-7-8-6(13)14-5/h1-2H,(H,8,13)
InChI Key:
XASNJDVTZFCZPT-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(o1)c1n[nH]c(=S)s1
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.962g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.228g/mol
Monoisotopic Mass:
228.962g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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