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27806-78-6 | Carbamimidothioic acid, (4-methoxyphenyl)-, methyl ester (9CI)
CAS No: 27806-78-6 Catalog No: AG002USH MDL No:
Product Description
Catalog Number:
AG002USH
Chemical Name:
Carbamimidothioic acid, (4-methoxyphenyl)-, methyl ester (9CI)
CAS Number:
27806-78-6
Molecular Formula:
C9H12N2OS
Molecular Weight:
196.2694
IUPAC Name:
methyl N'-(4-methoxyphenyl)carbamimidothioate
InChI:
InChI=1S/C9H12N2OS/c1-12-8-5-3-7(4-6-8)11-9(10)13-2/h3-6H,1-2H3,(H2,10,11)
InChI Key:
ADIKPWZTHAAWLL-UHFFFAOYSA-N
SMILES:
CSC(=N)Nc1ccc(cc1)OC
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.067g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.268g/mol
Monoisotopic Mass:
196.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| [Synthesis and nNOS inhibitory activity of benzenealkyl isothiourea compounds]. | Yao xue xue bao = Acta pharmaceutica Sinica 20030801 |
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