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926-07-8 | Carbamimidothioic acid, 1,1-dimethylethyl ester
CAS No: 926-07-8 Catalog No: AG006G28 MDL No:MFCD19640330
Product Description
Catalog Number:
AG006G28
Chemical Name:
Carbamimidothioic acid, 1,1-dimethylethyl ester
CAS Number:
926-07-8
Molecular Formula:
C5H12N2S
Molecular Weight:
132.2272
MDL Number:
MFCD19640330
IUPAC Name:
tert-butyl carbamimidothioate
InChI:
InChI=1S/C5H12N2S/c1-5(2,3)8-4(6)7/h1-3H3,(H3,6,7)
InChI Key:
HQYFXUNMHLTGCN-UHFFFAOYSA-N
SMILES:
NC(=N)SC(C)(C)C
Properties
Complexity:
93.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
132.072g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
132.225g/mol
Monoisotopic Mass:
132.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| Design, synthesis, and evaluation of potential inhibitors of nitric oxide synthase. | Bioorganic & medicinal chemistry 20080601 |
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