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78081-81-9 | Carbamic acid,tetrathiobis[methyl-, bis(2,3-dihydro-2,2-dimethyl-7-benzofuranyl) ester (9CI)
CAS No: 78081-81-9 Catalog No: AG0055DJ MDL No:
Product Description
Catalog Number:
AG0055DJ
Chemical Name:
Carbamic acid,tetrathiobis[methyl-, bis(2,3-dihydro-2,2-dimethyl-7-benzofuranyl) ester (9CI)
CAS Number:
78081-81-9
Molecular Formula:
C24H28N2O6S4
Molecular Weight:
568.7489
IUPAC Name:
(2,2-dimethyl-3H-1-benzofuran-7-yl) N-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]tetrasulfanyl]-N-methylcarbamate
InChI:
InChI=1S/C24H28N2O6S4/c1-23(2)13-15-9-7-11-17(19(15)31-23)29-21(27)25(5)33-35-36-34-26(6)22(28)30-18-12-8-10-16-14-24(3,4)32-20(16)18/h7-12H,13-14H2,1-6H3
InChI Key:
UNWUSANDPQUHGU-UHFFFAOYSA-N
SMILES:
CN(C(=O)Oc1cccc2c1OC(C2)(C)C)SSSSN(C(=O)Oc1cccc2c1OC(C2)(C)C)C
Properties
Complexity:
739
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
568.083g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
568.736g/mol
Monoisotopic Mass:
568.083g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
179A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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