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Home Other Building Blocks Carbamimidothioic acid, N-phenyl-, ethyl ester

Carbamimidothioic acid, N-phenyl-, ethyl ester

CAS No.:
19801-34-4
Catalog Number:
AG002B84
Molecular Formula:
C9H12N2S
Molecular Weight:
180.2700
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Product Description
Catalog Number:
AG002B84
Chemical Name:
Carbamimidothioic acid, N-phenyl-, ethyl ester
CAS Number:
19801-34-4
Molecular Formula:
C9H12N2S
Molecular Weight:
180.2700
MDL Number:
MFCD01863388
IUPAC Name:
ethyl N'-phenylcarbamimidothioate
InChI:
InChI=1S/C9H12N2S/c1-2-12-9(10)11-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,10,11)
InChI Key:
LAXNJIWNBHHMDO-UHFFFAOYSA-N
SMILES:
CCSC(=N)Nc1ccccc1
Properties
Complexity:
151  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.072g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
180.269g/mol
Monoisotopic Mass:
180.072g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
63.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Literature
Title Journal
Design, synthesis, and evaluation of potential inhibitors of nitric oxide synthase. Bioorganic & medicinal chemistry 20080601
Properties