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1794656-76-0 | Dithiocarbonic acid O-ethyl ester S-[2-oxo-2-(5-pyridin-2-yl-thiophen-2-yl)-ethyl] ester
CAS No: 1794656-76-0 Catalog No: AG00JS8R MDL No:
Product Description
Catalog Number:
AG00JS8R
Chemical Name:
Dithiocarbonic acid O-ethyl ester S-[2-oxo-2-(5-pyridin-2-yl-thiophen-2-yl)-ethyl] ester
CAS Number:
1794656-76-0
Molecular Formula:
C14H13NO2S3
Molecular Weight:
323.4535
IUPAC Name:
O-ethyl [2-oxo-2-(5-pyridin-2-ylthiophen-2-yl)ethyl]sulfanylmethanethioate
InChI:
InChI=1S/C14H13NO2S3/c1-2-17-14(18)19-9-11(16)13-7-6-12(20-13)10-5-3-4-8-15-10/h3-8H,2,9H2,1H3
InChI Key:
KNOSTOGHNPBKAD-UHFFFAOYSA-N
SMILES:
CCOC(=S)SCC(=O)c1ccc(s1)c1ccccn1
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.011g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
323.443g/mol
Monoisotopic Mass:
323.011g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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