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126770-57-8 | Benzene, 1,1'-thiobis[2,3-dimethoxy- (9CI)
CAS No: 126770-57-8 Catalog No: AG000T7M MDL No:
Product Description
Catalog Number:
AG000T7M
Chemical Name:
Benzene, 1,1'-thiobis[2,3-dimethoxy- (9CI)
CAS Number:
126770-57-8
Molecular Formula:
C16H18O4S
Molecular Weight:
306.3767
IUPAC Name:
1-(2,3-dimethoxyphenyl)sulfanyl-2,3-dimethoxybenzene
InChI:
InChI=1S/C16H18O4S/c1-17-11-7-5-9-13(15(11)19-3)21-14-10-6-8-12(18-2)16(14)20-4/h5-10H,1-4H3
InChI Key:
FMYCGNHOCPSVOX-UHFFFAOYSA-N
SMILES:
COc1c(cccc1OC)Sc1cccc(c1OC)OC
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.093g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.376g/mol
Monoisotopic Mass:
306.093g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
62.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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