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137527-29-8 | Benzenecarbothioic acid, 2,3-bis(acetyloxy)-, S-2-benzothiazolyl ester
CAS No: 137527-29-8 Catalog No: AG0013HV MDL No:
Product Description
Catalog Number:
AG0013HV
Chemical Name:
Benzenecarbothioic acid, 2,3-bis(acetyloxy)-, S-2-benzothiazolyl ester
CAS Number:
137527-29-8
Molecular Formula:
C18H13NO5S2
Molecular Weight:
387.4295
IUPAC Name:
[2-acetyloxy-3-(1,3-benzothiazol-2-ylsulfanylcarbonyl)phenyl] acetate
InChI:
InChI=1S/C18H13NO5S2/c1-10(20)23-14-8-5-6-12(16(14)24-11(2)21)17(22)26-18-19-13-7-3-4-9-15(13)25-18/h3-9H,1-2H3
InChI Key:
SJXWLHUTKGQQST-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1cccc(c1OC(=O)C)C(=O)Sc1nc2c(s1)cccc2
Properties
Complexity:
558
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
387.024g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
387.424g/mol
Monoisotopic Mass:
387.024g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
136A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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