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89767-75-9 | Isothiazole, 3-(2-furanyl)-4,5-dihydro-4,4,5,5-tetramethyl-
CAS No: 89767-75-9 Catalog No: AG00402Q MDL No:
Product Description
Catalog Number:
AG00402Q
Chemical Name:
Isothiazole, 3-(2-furanyl)-4,5-dihydro-4,4,5,5-tetramethyl-
CAS Number:
89767-75-9
Molecular Formula:
C11H15NOS
Molecular Weight:
209.3079
IUPAC Name:
3-(furan-2-yl)-4,4,5,5-tetramethyl-1,2-thiazole
InChI:
InChI=1S/C11H15NOS/c1-10(2)9(8-6-5-7-13-8)12-14-11(10,3)4/h5-7H,1-4H3
InChI Key:
VYSWAQNXJUXAFS-UHFFFAOYSA-N
SMILES:
CC1(C)SN=C(C1(C)C)c1ccco1
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.087g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.307g/mol
Monoisotopic Mass:
209.087g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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