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88022-97-3 | Guanidine, N-[4-[[(2-cyanoethyl)thio]methyl]-2-thiazolyl]-N'-propyl-
CAS No: 88022-97-3 Catalog No: AG004GJL MDL No:
Product Description
Catalog Number:
AG004GJL
Chemical Name:
Guanidine, N-[4-[[(2-cyanoethyl)thio]methyl]-2-thiazolyl]-N'-propyl-
CAS Number:
88022-97-3
Molecular Formula:
C11H17N5S2
Molecular Weight:
283.4162
IUPAC Name:
1-[4-(2-cyanoethylsulfanylmethyl)-1,3-thiazol-2-yl]-2-propylguanidine
InChI:
InChI=1S/C11H17N5S2/c1-2-5-14-10(13)16-11-15-9(8-18-11)7-17-6-3-4-12/h8H,2-3,5-7H2,1H3,(H3,13,14,15,16)
InChI Key:
WHHVZOISORXWSR-UHFFFAOYSA-N
SMILES:
CCCNC(=N)Nc1scc(n1)CSCCC#N
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.093g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
283.412g/mol
Monoisotopic Mass:
283.093g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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