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338779-32-1 | 5-nitro-6-(phenylsulfanyl)imidazo[2,1-b][1,3]thiazole
CAS No: 338779-32-1 Catalog No: AG00IQ0P MDL No:MFCD00138961
Product Description
Catalog Number:
AG00IQ0P
Chemical Name:
5-nitro-6-(phenylsulfanyl)imidazo[2,1-b][1,3]thiazole
CAS Number:
338779-32-1
Molecular Formula:
C11H7N3O2S2
Molecular Weight:
277.3222
MDL Number:
MFCD00138961
IUPAC Name:
5-nitro-6-phenylsulfanylimidazo[2,1-b][1,3]thiazole
InChI:
InChI=1S/C11H7N3O2S2/c15-14(16)10-9(12-11-13(10)6-7-17-11)18-8-4-2-1-3-5-8/h1-7H
InChI Key:
TWKULZOFVJIIOX-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(Sc2ccccc2)nc2n1ccs2
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.998g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.316g/mol
Monoisotopic Mass:
276.998g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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