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351857-82-4 | 1-{6-methyl-[1,2,4]triazolo[3,2-b][1,3]thiazol-5-yl}-2-(phenylsulfanyl)ethan-1-one
CAS No: 351857-82-4 Catalog No: AG00IW26 MDL No:MFCD01315168
Product Description
Catalog Number:
AG00IW26
Chemical Name:
1-{6-methyl-[1,2,4]triazolo[3,2-b][1,3]thiazol-5-yl}-2-(phenylsulfanyl)ethan-1-one
CAS Number:
351857-82-4
Molecular Formula:
C13H11N3OS2
Molecular Weight:
289.3759
MDL Number:
MFCD01315168
IUPAC Name:
1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-2-phenylsulfanylethanone
InChI:
InChI=1S/C13H11N3OS2/c1-9-12(19-13-14-8-15-16(9)13)11(17)7-18-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3
InChI Key:
TVZLKBZUHROVTA-UHFFFAOYSA-N
SMILES:
O=C(c1sc2n(c1C)ncn2)CSc1ccccc1
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.034g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.371g/mol
Monoisotopic Mass:
289.034g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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