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114567-88-3 | 9-Oxa-4,7-dithia-2-azaundecanoic acid, 3-imino-8-oxo-, ethyl ester
CAS No: 114567-88-3 Catalog No: AG000EPZ MDL No:
Product Description
Catalog Number:
AG000EPZ
Chemical Name:
9-Oxa-4,7-dithia-2-azaundecanoic acid, 3-imino-8-oxo-, ethyl ester
CAS Number:
114567-88-3
Molecular Formula:
C9H16N2O4S2
Molecular Weight:
280.3643
IUPAC Name:
ethyl 2-(N'-ethoxycarbonylcarbamimidoyl)sulfanylethylsulfanylformate
InChI:
InChI=1S/C9H16N2O4S2/c1-3-14-8(12)11-7(10)16-5-6-17-9(13)15-4-2/h3-6H2,1-2H3,(H2,10,11,12)
InChI Key:
YJVGCAPYQFPLQV-UHFFFAOYSA-N
SMILES:
CCOC(=O)SCCSC(=N)NC(=O)OCC
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.055g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.357g/mol
Monoisotopic Mass:
280.055g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
142A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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