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88096-57-5 | 2-Thiophenecarboxylic acid, 4-amino-3-(methylthio)-5-nitro-, ethyl ester
CAS No: 88096-57-5 Catalog No: AG004G8R MDL No:
Product Description
Catalog Number:
AG004G8R
Chemical Name:
2-Thiophenecarboxylic acid, 4-amino-3-(methylthio)-5-nitro-, ethyl ester
CAS Number:
88096-57-5
Molecular Formula:
C8H10N2O4S2
Molecular Weight:
262.3060
IUPAC Name:
ethyl 4-amino-3-methylsulfanyl-5-nitrothiophene-2-carboxylate
InChI:
InChI=1S/C8H10N2O4S2/c1-3-14-8(11)6-5(15-2)4(9)7(16-6)10(12)13/h3,9H2,1-2H3
InChI Key:
ZUJQWEUWWYXECI-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1sc(c(c1SC)N)[N+](=O)[O-]
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.008g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.298g/mol
Monoisotopic Mass:
262.008g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
152A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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