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Home > Imidazoles > 87578-02-7
87578-02-7 | Thiazole, 4,5-dihydro-2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]-
CAS No: 87578-02-7 Catalog No: AG008ESS MDL No:
Product Description
Catalog Number:
AG008ESS
Chemical Name:
Thiazole, 4,5-dihydro-2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]-
CAS Number:
87578-02-7
Molecular Formula:
C8H11N3S2
Molecular Weight:
213.3230
IUPAC Name:
2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]-4,5-dihydro-1,3-thiazole
InChI:
InChI=1S/C8H11N3S2/c1-6-7(11-5-10-6)4-13-8-9-2-3-12-8/h5H,2-4H2,1H3,(H,10,11)
InChI Key:
JJYXAOBPWIYURO-UHFFFAOYSA-N
SMILES:
Cc1[nH]cnc1CSC1=NCCS1
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.039g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
213.317g/mol
Monoisotopic Mass:
213.039g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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