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Home > Nitro Compounds > 86107-96-2
86107-96-2 | Thiourea, (4-methyl-5-nitro-2-thiazolyl)-
CAS No: 86107-96-2 Catalog No: AG004L31 MDL No:
Product Description
Catalog Number:
AG004L31
Chemical Name:
Thiourea, (4-methyl-5-nitro-2-thiazolyl)-
CAS Number:
86107-96-2
Molecular Formula:
C5H6N4O2S2
Molecular Weight:
218.2567
IUPAC Name:
(4-methyl-5-nitro-1,3-thiazol-2-yl)thiourea
InChI:
InChI=1S/C5H6N4O2S2/c1-2-3(9(10)11)13-5(7-2)8-4(6)12/h1H3,(H3,6,7,8,12)
InChI Key:
KVCPJBNBJIGIJC-UHFFFAOYSA-N
SMILES:
NC(=S)Nc1nc(c(s1)[N+](=O)[O-])C
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.993g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
218.249g/mol
Monoisotopic Mass:
217.993g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
157A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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