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Home > Other Heterocycles > 139759-16-3
139759-16-3 | Benzenecarbodithioic acid, 9-borabicyclo[3.3.1]non-9-yl ester
CAS No: 139759-16-3 Catalog No: AG001BOQ MDL No:
Product Description
Catalog Number:
AG001BOQ
Chemical Name:
Benzenecarbodithioic acid, 9-borabicyclo[3.3.1]non-9-yl ester
CAS Number:
139759-16-3
Molecular Formula:
C15H19BS2
Molecular Weight:
274.2524
IUPAC Name:
9-borabicyclo[3.3.1]nonan-9-yl benzenecarbodithioate
InChI:
InChI=1S/C15H19BS2/c17-15(12-6-2-1-3-7-12)18-16-13-8-4-9-14(16)11-5-10-13/h1-3,6-7,13-14H,4-5,8-11H2
InChI Key:
JILFQKULDIHZKL-UHFFFAOYSA-N
SMILES:
S=C(c1ccccc1)SB1C2CCCC1CCC2
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.102g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.247g/mol
Monoisotopic Mass:
274.102g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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