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40016-42-0 | 1-(5-NITROTHIAZOL-2-YL)IMIDAZOLIDINE-2-THIONE
CAS No: 40016-42-0 Catalog No: AG00761F MDL No:
Product Description
Catalog Number:
AG00761F
Chemical Name:
1-(5-NITROTHIAZOL-2-YL)IMIDAZOLIDINE-2-THIONE
CAS Number:
40016-42-0
Molecular Formula:
C6H6N4O2S2
Molecular Weight:
230.2674
IUPAC Name:
1-(5-nitro-1,3-thiazol-2-yl)imidazolidine-2-thione
InChI:
InChI=1S/C6H6N4O2S2/c11-10(12)4-3-8-6(14-4)9-2-1-7-5(9)13/h3H,1-2H2,(H,7,13)
InChI Key:
ZOFIQVOGCZRBNP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cnc(s1)N1CCNC1=S
EC Number:
254-750-0
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.993g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.26g/mol
Monoisotopic Mass:
229.993g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
134A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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