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477864-49-6 | 6-(propan-2-ylsulfanyl)imidazo[2,1-b][1,3]thiazole-5-carbonitrile
CAS No: 477864-49-6 Catalog No: AG00IQSO MDL No:MFCD01316358
Product Description
Catalog Number:
AG00IQSO
Chemical Name:
6-(propan-2-ylsulfanyl)imidazo[2,1-b][1,3]thiazole-5-carbonitrile
CAS Number:
477864-49-6
Molecular Formula:
C9H9N3S2
Molecular Weight:
223.3179
MDL Number:
MFCD01316358
IUPAC Name:
6-propan-2-ylsulfanylimidazo[2,1-b][1,3]thiazole-5-carbonitrile
InChI:
InChI=1S/C9H9N3S2/c1-6(2)14-8-7(5-10)12-3-4-13-9(12)11-8/h3-4,6H,1-2H3
InChI Key:
BDAUXGQUQAMIDB-UHFFFAOYSA-N
SMILES:
N#Cc1c(SC(C)C)nc2n1ccs2
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.024g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.312g/mol
Monoisotopic Mass:
223.024g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
94.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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