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96159-92-1 | 2-(3,4,5-TRIMETHOXYPHENYL)-4,5-DIHYDRO-1,3-THIAZOLE
CAS No: 96159-92-1 Catalog No: AG006SOO MDL No:
Product Description
Catalog Number:
AG006SOO
Chemical Name:
2-(3,4,5-TRIMETHOXYPHENYL)-4,5-DIHYDRO-1,3-THIAZOLE
CAS Number:
96159-92-1
Molecular Formula:
C12H15NO3S
Molecular Weight:
253.3174
IUPAC Name:
2-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,3-thiazole
InChI:
InChI=1S/C12H15NO3S/c1-14-9-6-8(12-13-4-5-17-12)7-10(15-2)11(9)16-3/h6-7H,4-5H2,1-3H3
InChI Key:
QXBQKBAGRFODPD-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1OC)OC)C1=NCCS1
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.077g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.316g/mol
Monoisotopic Mass:
253.077g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
65.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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