200,000+ products from a single source!
sales@angenechem.com
115104-22-8 | Propanoic acid, 3,3'-[[(3-formylphenyl)methylene]bis(thio)]bis-, dimethyl ester (9CI)
CAS No: 115104-22-8 Catalog No: AG000GAV MDL No:MFCD22575153
Product Description
Catalog Number:
AG000GAV
Chemical Name:
Propanoic acid, 3,3'-[[(3-formylphenyl)methylene]bis(thio)]bis-, dimethyl ester (9CI)
CAS Number:
115104-22-8
Molecular Formula:
C16H20O5S2
Molecular Weight:
356.4570
MDL Number:
MFCD22575153
IUPAC Name:
methyl 3-[(3-formylphenyl)-(3-methoxy-3-oxopropyl)sulfanylmethyl]sulfanylpropanoate
InChI:
InChI=1S/C16H20O5S2/c1-20-14(18)6-8-22-16(23-9-7-15(19)21-2)13-5-3-4-12(10-13)11-17/h3-5,10-11,16H,6-9H2,1-2H3
InChI Key:
NTZAQVDAXCNIIW-UHFFFAOYSA-N
SMILES:
COC(=O)CCSC(c1cccc(c1)C=O)SCCC(=O)OC
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.075g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
356.451g/mol
Monoisotopic Mass:
356.075g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.