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130293-07-1 | Acetic acid, 2-[(4-methoxyphenyl)amino]-2-thioxo-, 1,1-dimethylethyl ester
CAS No: 130293-07-1 Catalog No: AG000U8M MDL No:
Product Description
Catalog Number:
AG000U8M
Chemical Name:
Acetic acid, 2-[(4-methoxyphenyl)amino]-2-thioxo-, 1,1-dimethylethyl ester
CAS Number:
130293-07-1
Molecular Formula:
C13H17NO3S
Molecular Weight:
267.3440
IUPAC Name:
tert-butyl 2-(4-methoxyanilino)-2-sulfanylideneacetate
InChI:
InChI=1S/C13H17NO3S/c1-13(2,3)17-12(15)11(18)14-9-5-7-10(16-4)8-6-9/h5-8H,1-4H3,(H,14,18)
InChI Key:
WQVXERJARCFZQN-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)NC(=S)C(=O)OC(C)(C)C
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.093g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.343g/mol
Monoisotopic Mass:
267.093g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
79.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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