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303996-45-4 | 6-(benzylsulfanyl)imidazo[2,1-b][1,3]thiazole-5-carbonitrile
CAS No: 303996-45-4 Catalog No: AG00INLZ MDL No:MFCD00139730
Product Description
Catalog Number:
AG00INLZ
Chemical Name:
6-(benzylsulfanyl)imidazo[2,1-b][1,3]thiazole-5-carbonitrile
CAS Number:
303996-45-4
Molecular Formula:
C13H9N3S2
Molecular Weight:
271.3607
MDL Number:
MFCD00139730
IUPAC Name:
6-benzylsulfanylimidazo[2,1-b][1,3]thiazole-5-carbonitrile
InChI:
InChI=1S/C13H9N3S2/c14-8-11-12(15-13-16(11)6-7-17-13)18-9-10-4-2-1-3-5-10/h1-7H,9H2
InChI Key:
YBSHODVVRCYYGV-UHFFFAOYSA-N
SMILES:
N#Cc1c(SCc2ccccc2)nc2n1ccs2
Properties
Complexity:
334
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:
3
Topological Polar Surface Area:
94.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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