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89069-99-8 | Carbamimidothioic acid, (2-chlorophenyl)-, ethyl ester
CAS No: 89069-99-8 Catalog No: AG0040AN MDL No:
Product Description
Catalog Number:
AG0040AN
Chemical Name:
Carbamimidothioic acid, (2-chlorophenyl)-, ethyl ester
CAS Number:
89069-99-8
Molecular Formula:
C9H11ClN2S
Molecular Weight:
214.7150
IUPAC Name:
ethyl N'-(2-chlorophenyl)carbamimidothioate
InChI:
InChI=1S/C9H11ClN2S/c1-2-13-9(11)12-8-6-4-3-5-7(8)10/h3-6H,2H2,1H3,(H2,11,12)
InChI Key:
NYQYZAGLRCILFP-UHFFFAOYSA-N
SMILES:
CCSC(=N)Nc1ccccc1Cl
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.033g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.711g/mol
Monoisotopic Mass:
214.033g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| Design, synthesis, and evaluation of potential inhibitors of nitric oxide synthase. | Bioorganic & medicinal chemistry 20080601 |
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