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339022-45-6 | N-methyl-2-({5-nitroimidazo[2,1-b][1,3]thiazol-6-yl}sulfanyl)acetamide
CAS No: 339022-45-6 Catalog No: AG00IS28 MDL No:MFCD00139076
Product Description
Catalog Number:
AG00IS28
Chemical Name:
N-methyl-2-({5-nitroimidazo[2,1-b][1,3]thiazol-6-yl}sulfanyl)acetamide
CAS Number:
339022-45-6
Molecular Formula:
C8H8N4O3S2
Molecular Weight:
272.3041
MDL Number:
MFCD00139076
IUPAC Name:
N-methyl-2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylacetamide
InChI:
InChI=1S/C8H8N4O3S2/c1-9-5(13)4-17-6-7(12(14)15)11-2-3-16-8(11)10-6/h2-3H,4H2,1H3,(H,9,13)
InChI Key:
INEYFCTXQUZBLA-UHFFFAOYSA-N
SMILES:
CNC(=O)CSc1nc2n(c1[N+](=O)[O-])ccs2
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.004g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.297g/mol
Monoisotopic Mass:
272.004g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
146A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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