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128685-56-3 | 1,2,4,3-Thiadiazaboretidine, 2,4-bis(1,1-dimethylethyl)-3-phenyl-
CAS No: 128685-56-3 Catalog No: AG000YB5 MDL No:
Product Description
Catalog Number:
AG000YB5
Chemical Name:
1,2,4,3-Thiadiazaboretidine, 2,4-bis(1,1-dimethylethyl)-3-phenyl-
CAS Number:
128685-56-3
Molecular Formula:
C14H23BN2S
Molecular Weight:
262.2218
IUPAC Name:
2,4-ditert-butyl-3-phenyl-1,2,4,3-thiadiazaboretidine
InChI:
InChI=1S/C14H23BN2S/c1-13(2,3)16-15(12-10-8-7-9-11-12)17(18-16)14(4,5)6/h7-11H,1-6H3
InChI Key:
CCSGBJRMHRDWAA-UHFFFAOYSA-N
SMILES:
CC(N1SN(B1c1ccccc1)C(C)(C)C)(C)C
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.168g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.222g/mol
Monoisotopic Mass:
262.168g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
31.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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