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89337-95-1 | 3H-1,2,3-Dithiaborol-3-amine, N-(2,6-dimethylphenyl)-4,5-diethyl-
CAS No: 89337-95-1 Catalog No: AG003ZGF MDL No:
Product Description
Catalog Number:
AG003ZGF
Chemical Name:
3H-1,2,3-Dithiaborol-3-amine, N-(2,6-dimethylphenyl)-4,5-diethyl-
CAS Number:
89337-95-1
Molecular Formula:
C14H20BNS2
Molecular Weight:
277.2563
IUPAC Name:
N-(2,6-dimethylphenyl)-4,5-diethyldithiaborol-3-amine
InChI:
InChI=1S/C14H20BNS2/c1-5-12-13(6-2)17-18-15(12)16-14-10(3)8-7-9-11(14)4/h7-9,16H,5-6H2,1-4H3
InChI Key:
FENNMEYIVPIHQX-UHFFFAOYSA-N
SMILES:
CCC1=C(CC)SSB1Nc1c(C)cccc1C
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.113g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.251g/mol
Monoisotopic Mass:
277.113g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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