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Home > Imidazoles > 88046-14-4
88046-14-4 | Butanimidamide, 4-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]-
CAS No: 88046-14-4 Catalog No: AG004IXM MDL No:
Product Description
Catalog Number:
AG004IXM
Chemical Name:
Butanimidamide, 4-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]-
CAS Number:
88046-14-4
Molecular Formula:
C9H16N4S
Molecular Weight:
212.3151
IUPAC Name:
4-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]butanimidamide
InChI:
InChI=1S/C9H16N4S/c1-7-8(13-6-12-7)5-14-4-2-3-9(10)11/h6H,2-5H2,1H3,(H3,10,11)(H,12,13)
InChI Key:
MHFBOJUPPPXVKP-UHFFFAOYSA-N
SMILES:
NC(=N)CCCSCc1nc[nH]c1C
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.11g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
212.315g/mol
Monoisotopic Mass:
212.11g/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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