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77267-56-2 | Carbamic acid,methyl[(phenylthio)sulfinyl]-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester(9CI)
CAS No: 77267-56-2 Catalog No: AG005D33 MDL No:
Product Description
Catalog Number:
AG005D33
Chemical Name:
Carbamic acid,methyl[(phenylthio)sulfinyl]-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester(9CI)
CAS Number:
77267-56-2
Molecular Formula:
C18H19NO4S2
Molecular Weight:
377.4778
IUPAC Name:
(2,2-dimethyl-3H-1-benzofuran-7-yl) N-methyl-N-phenylsulfanylsulfinylcarbamate
InChI:
InChI=1S/C18H19NO4S2/c1-18(2)12-13-8-7-11-15(16(13)23-18)22-17(20)19(3)25(21)24-14-9-5-4-6-10-14/h4-11H,12H2,1-3H3
InChI Key:
BXBLSVRYLBQPKK-UHFFFAOYSA-N
SMILES:
O=C(N(S(=O)Sc1ccccc1)C)Oc1cccc2c1OC(C2)(C)C
Properties
Complexity:
507
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
377.076g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
377.473g/mol
Monoisotopic Mass:
377.076g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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