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303996-48-7 | 6-[(4-methylphenyl)sulfanyl]imidazo[2,1-b][1,3]thiazole-5-carbonitrile
CAS No: 303996-48-7 Catalog No: AG00IQ3T MDL No:MFCD00139733
Product Description
Catalog Number:
AG00IQ3T
Chemical Name:
6-[(4-methylphenyl)sulfanyl]imidazo[2,1-b][1,3]thiazole-5-carbonitrile
CAS Number:
303996-48-7
Molecular Formula:
C13H9N3S2
Molecular Weight:
271.3607
MDL Number:
MFCD00139733
IUPAC Name:
6-(4-methylphenyl)sulfanylimidazo[2,1-b][1,3]thiazole-5-carbonitrile
InChI:
InChI=1S/C13H9N3S2/c1-9-2-4-10(5-3-9)18-12-11(8-14)16-6-7-17-13(16)15-12/h2-7H,1H3
InChI Key:
FLXFIYQJNGTOQC-UHFFFAOYSA-N
SMILES:
N#Cc1c(Sc2ccc(cc2)C)nc2n1ccs2
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.024g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.356g/mol
Monoisotopic Mass:
271.024g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
94.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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