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101432-08-0 | Benzene, 1,1'-thiobis[2,6-dimethoxy- (9CI)
CAS No: 101432-08-0 Catalog No: AG0004HH MDL No:
Product Description
Catalog Number:
AG0004HH
Chemical Name:
Benzene, 1,1'-thiobis[2,6-dimethoxy- (9CI)
CAS Number:
101432-08-0
Molecular Formula:
C16H18O4S
Molecular Weight:
306.3767
IUPAC Name:
2-(2,6-dimethoxyphenyl)sulfanyl-1,3-dimethoxybenzene
InChI:
InChI=1S/C16H18O4S/c1-17-11-7-5-8-12(18-2)15(11)21-16-13(19-3)9-6-10-14(16)20-4/h5-10H,1-4H3
InChI Key:
MCPZYNJLCKKGTC-UHFFFAOYSA-N
SMILES:
COc1cccc(c1Sc1c(OC)cccc1OC)OC
Properties
Complexity:
250
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:
3.9
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