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705-72-6 | Ethanimidothioic acid, N-hydroxy-, 4-methylphenyl ester
CAS No: 705-72-6 Catalog No: AG005I12 MDL No:
Product Description
Catalog Number:
AG005I12
Chemical Name:
Ethanimidothioic acid, N-hydroxy-, 4-methylphenyl ester
CAS Number:
705-72-6
Molecular Formula:
C9H11NOS
Molecular Weight:
181.2547
IUPAC Name:
(4-methylphenyl) N-hydroxyethanimidothioate
InChI:
InChI=1S/C9H11NOS/c1-7-3-5-9(6-4-7)12-8(2)10-11/h3-6,11H,1-2H3
InChI Key:
HIECCXCDWNXQNU-UHFFFAOYSA-N
SMILES:
ON=C(Sc1ccc(cc1)C)C
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.056g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.253g/mol
Monoisotopic Mass:
181.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.8
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