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132483-78-4 | Propanedioic acid, 2-[4-(aminothioxomethyl)phenyl]-2-methyl-, 1,3-diethyl ester
CAS No: 132483-78-4 Catalog No: AG0010QN MDL No:
Product Description
Catalog Number:
AG0010QN
Chemical Name:
Propanedioic acid, 2-[4-(aminothioxomethyl)phenyl]-2-methyl-, 1,3-diethyl ester
CAS Number:
132483-78-4
Molecular Formula:
C15H19NO4S
Molecular Weight:
309.3807
IUPAC Name:
diethyl 2-[(4-carbamothioylphenyl)methyl]propanedioate
InChI:
InChI=1S/C15H19NO4S/c1-3-19-14(17)12(15(18)20-4-2)9-10-5-7-11(8-6-10)13(16)21/h5-8,12H,3-4,9H2,1-2H3,(H2,16,21)
InChI Key:
UHGABNZBRJHLQA-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(c1ccc(cc1)C(=S)N)(C(=O)OCC)C
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.103g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
309.38g/mol
Monoisotopic Mass:
309.103g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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