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130137-83-6 | Carbamimidothioic acid, N,N'-diacetyl-, (5-cyano-2-furanyl)methyl ester
CAS No: 130137-83-6 Catalog No: AG000U1P MDL No:
Product Description
Catalog Number:
AG000U1P
Chemical Name:
Carbamimidothioic acid, N,N'-diacetyl-, (5-cyano-2-furanyl)methyl ester
CAS Number:
130137-83-6
Molecular Formula:
C11H11N3O3S
Molecular Weight:
265.2883
IUPAC Name:
(5-cyanofuran-2-yl)methyl N,N'-diacetylcarbamimidothioate
InChI:
InChI=1S/C11H11N3O3S/c1-7(15)13-11(14-8(2)16)18-6-10-4-3-9(5-12)17-10/h3-4H,6H2,1-2H3,(H,13,14,15,16)
InChI Key:
OBRSDVIIZGLZQL-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(o1)CSC(=NC(=O)C)NC(=O)C
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.052g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.287g/mol
Monoisotopic Mass:
265.052g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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