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1384430-42-5 | 3-(1,3-benzothiazol-2-yl)butan-2-yl methanesulfonate
CAS No: 1384430-42-5 Catalog No: AG019TH2 MDL No:MFCD22056470
Product Description
Catalog Number:
AG019TH2
Chemical Name:
3-(1,3-benzothiazol-2-yl)butan-2-yl methanesulfonate
CAS Number:
1384430-42-5
Molecular Formula:
C12H15NO3S2
Molecular Weight:
285.3824
MDL Number:
MFCD22056470
IUPAC Name:
3-(1,3-benzothiazol-2-yl)butan-2-yl methanesulfonate
InChI:
InChI=1S/C12H15NO3S2/c1-8(9(2)16-18(3,14)15)12-13-10-6-4-5-7-11(10)17-12/h4-9H,1-3H3
InChI Key:
LCBGWECOKCYWKC-UHFFFAOYSA-N
SMILES:
CC(C(c1nc2c(s1)cccc2)C)OS(=O)(=O)C
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.049g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.376g/mol
Monoisotopic Mass:
285.049g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
92.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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