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103195-90-0 | Ethanethioic acid,S-[2-[2-[(2-methylphenoxy)methyl]-3-thiazolidinyl]-2-oxoethyl] ester
CAS No: 103195-90-0 Catalog No: AG007HWR MDL No:
Product Description
Catalog Number:
AG007HWR
Chemical Name:
Ethanethioic acid,S-[2-[2-[(2-methylphenoxy)methyl]-3-thiazolidinyl]-2-oxoethyl] ester
CAS Number:
103195-90-0
Molecular Formula:
C15H19NO3S2
Molecular Weight:
325.4463
IUPAC Name:
S-[2-[2-[(2-methylphenoxy)methyl]-1,3-thiazolidin-3-yl]-2-oxoethyl] ethanethioate
InChI:
InChI=1S/C15H19NO3S2/c1-11-5-3-4-6-13(11)19-9-15-16(7-8-20-15)14(18)10-21-12(2)17/h3-6,15H,7-10H2,1-2H3
InChI Key:
QSFPCWGHQUQTGQ-UHFFFAOYSA-N
SMILES:
CC(=O)SCC(=O)N1CCSC1COc1ccccc1C
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.081g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
325.441g/mol
Monoisotopic Mass:
325.081g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
97.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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