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76823-93-3 | Guanidine,[4-[[(2-cyanoethyl)thio]methyl]-2-thiazolyl]- (9CI)
CAS No: 76823-93-3 Catalog No: AG0059IM MDL No:MFCD01249953
Product Description
Catalog Number:
AG0059IM
Chemical Name:
Guanidine,[4-[[(2-cyanoethyl)thio]methyl]-2-thiazolyl]- (9CI)
CAS Number:
76823-93-3
Molecular Formula:
C8H12N5S2
Molecular Weight:
242.3444
MDL Number:
MFCD01249953
IUPAC Name:
2-[4-(2-cyanoethylsulfanylmethyl)-1,3-thiazol-2-yl]guanidine
InChI:
InChI=1S/C8H11N5S2/c9-2-1-3-14-4-6-5-15-8(12-6)13-7(10)11/h5H,1,3-4H2,(H4,10,11,12,13)
InChI Key:
FSKYYRZENXOYAP-UHFFFAOYSA-N
SMILES:
C[S](c1csc(n1)NC(=N)N)CCC#N
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.046g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
241.331g/mol
Monoisotopic Mass:
241.046g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
155A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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