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57527-78-3 | 1-(1,3-BENZOTHIAZOL-2-YL)ETHYL 4-METHYLBENZENESULFONATE
CAS No: 57527-78-3 Catalog No: AG00EOAK MDL No:MFCD06655110
Product Description
Catalog Number:
AG00EOAK
Chemical Name:
1-(1,3-BENZOTHIAZOL-2-YL)ETHYL 4-METHYLBENZENESULFONATE
CAS Number:
57527-78-3
Molecular Formula:
C16H15NO3S2
Molecular Weight:
333.4252
MDL Number:
MFCD06655110
IUPAC Name:
1-(1,3-benzothiazol-2-yl)ethyl 4-methylbenzenesulfonate
InChI:
InChI=1S/C16H15NO3S2/c1-11-7-9-13(10-8-11)22(18,19)20-12(2)16-17-14-5-3-4-6-15(14)21-16/h3-10,12H,1-2H3
InChI Key:
LUFVVEPVDDTGQU-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)OC(c1nc2c(s1)cccc2)C
Properties
Complexity:
468
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.049g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
333.42g/mol
Monoisotopic Mass:
333.049g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
92.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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