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70172-53-1 | Guanidine,N-methyl-N'-[2-[[(5-methyl-1Himidazol- 4-yl)methyl]thio]ethyl]-
CAS No: 70172-53-1 Catalog No: AG006BCP MDL No:
Product Description
Catalog Number:
AG006BCP
Chemical Name:
Guanidine,N-methyl-N'-[2-[[(5-methyl-1Himidazol- 4-yl)methyl]thio]ethyl]-
CAS Number:
70172-53-1
Molecular Formula:
C9H17N5S
Molecular Weight:
227.3298
IUPAC Name:
2-methyl-1-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine
InChI:
InChI=1S/C9H17N5S/c1-7-8(14-6-13-7)5-15-4-3-12-9(10)11-2/h6H,3-5H2,1-2H3,(H,13,14)(H3,10,11,12)
InChI Key:
OFFPEAOWWDXZOY-UHFFFAOYSA-N
SMILES:
CNC(=N)NCCSCc1nc[nH]c1C
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.12g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
227.33g/mol
Monoisotopic Mass:
227.12g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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