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304476-31-1 | 1,3-benzothiazol-2-ylmethyl 4-methylbenzene-1-sulfonate
CAS No: 304476-31-1 Catalog No: AG019GYT MDL No:MFCD02693858
Product Description
Catalog Number:
AG019GYT
Chemical Name:
1,3-benzothiazol-2-ylmethyl 4-methylbenzene-1-sulfonate
CAS Number:
304476-31-1
Molecular Formula:
C15H13NO3S2
Molecular Weight:
319.3986
MDL Number:
MFCD02693858
IUPAC Name:
1,3-benzothiazol-2-ylmethyl 4-methylbenzenesulfonate
InChI:
InChI=1S/C15H13NO3S2/c1-11-6-8-12(9-7-11)21(17,18)19-10-15-16-13-4-2-3-5-14(13)20-15/h2-9H,10H2,1H3
InChI Key:
GGDQIPHYCSLYFW-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)OCc1nc2c(s1)cccc2
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.034g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.393g/mol
Monoisotopic Mass:
319.034g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
92.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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