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129283-82-5 | 2-Propenethioic acid, 2-methyl-, S1,S1'-(thiodi-4,1-phenylene) ester
CAS No: 129283-82-5 Catalog No: AG000Z1J MDL No:MFCD00142120
Product Description
Catalog Number:
AG000Z1J
Chemical Name:
2-Propenethioic acid, 2-methyl-, S1,S1'-(thiodi-4,1-phenylene) ester
CAS Number:
129283-82-5
Molecular Formula:
C20H18O2S3
Molecular Weight:
386.5507
MDL Number:
MFCD00142120
IUPAC Name:
S-[4-[4-(2-methylprop-2-enoylsulfanyl)phenyl]sulfanylphenyl] 2-methylprop-2-enethioate
InChI:
InChI=1S/C20H18O2S3/c1-13(2)19(21)24-17-9-5-15(6-10-17)23-16-7-11-18(12-8-16)25-20(22)14(3)4/h5-12H,1,3H2,2,4H3
InChI Key:
SPNAQSNLZHHUIJ-UHFFFAOYSA-N
SMILES:
O=C(C(=C)C)Sc1ccc(cc1)Sc1ccc(cc1)SC(=O)C(=C)C
Properties
Complexity:
467
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
386.047g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
386.542g/mol
Monoisotopic Mass:
386.047g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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