Name: Name:1,3-benzothiazol-2-ylmethyl 4-methylbenzene-1-sulfonate
Brand: Angene
SKU: AG019GYT
Rating: 90 (10 reviews)

1,3-benzothiazol-2-ylmethyl 4-methylbenzene-1-sulfonate

CAS No.:

304476-31-1

Catalog Number:

AG019GYT

Molecular Formula:

C15H13NO3S2

Molecular Weight:

319.3986

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

Complexity:

440

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

319.034g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

319.393g/mol

Monoisotopic Mass:

319.034g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

92.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.6