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1384427-99-9 | 1-(1,3-benzothiazol-2-yl)propan-2-yl methanesulfonate
CAS No: 1384427-99-9 Catalog No: AG019TH3 MDL No:MFCD22056471
Product Description
Catalog Number:
AG019TH3
Chemical Name:
1-(1,3-benzothiazol-2-yl)propan-2-yl methanesulfonate
CAS Number:
1384427-99-9
Molecular Formula:
C11H13NO3S2
Molecular Weight:
271.3558
MDL Number:
MFCD22056471
IUPAC Name:
1-(1,3-benzothiazol-2-yl)propan-2-yl methanesulfonate
InChI:
InChI=1S/C11H13NO3S2/c1-8(15-17(2,13)14)7-11-12-9-5-3-4-6-10(9)16-11/h3-6,8H,7H2,1-2H3
InChI Key:
RQJMSCBHMXFRNX-UHFFFAOYSA-N
SMILES:
CC(OS(=O)(=O)C)Cc1nc2c(s1)cccc2
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.034g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.349g/mol
Monoisotopic Mass:
271.034g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
92.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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