CAS: 38603-72-4
Nombre: 2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethanamine;dihydrochloride
SMILES:
CC1=C(N=CN1)CSCCN.Cl.ClMolecular Processing
Molecular formula
C7H15Cl2N3S
Molecular weight
244.19
Exact mass
243.0364
XLogP
1.75
TPSA
54.7
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
3
Fraction Csp3
0.571
Molar refractivity
63.04
Supplementary Information
InChIKey: VFWUYASTZCOUKN-UHFFFAOYSA-N
Sinónimos
38603-72-42-(((5-Methyl-1H-imidazol-4-yl)methyl)thio)ethylamine dihydrochloride2-[[(5-METHYL-1H-IMIDAZOL-4-YL)METHYL]THIO]ETHYLAMINE DIHYDROCHLORIDEEINECS 254-033-2DTXSID20191924EC 254-033-2RefChem:83625DTXCID60114415254-033-22-(((4-Methyl-1H-imidazol-5-yl)methyl)thio)ethanamine dihydrochloride4-methyl-5-[(2-aminoethyl)thiomethyl]imidazole dihydrochlorideMFCD12031495(2-{[(4-methyl-1h-imidazol-5-yl)methyl]thio}ethyl)amine dihydrochlorideC7H15Cl2N3S2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethanamine;dihydrochloride(2-([(4-methyl-1h-imidazol-5-yl)methyl]thio)ethyl)amine 2hcl2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethanamine dihydrochlorideCimetidine EP Impurity J DiHCl(2-([(4-Methyl-1h-imidazol-5-yl)methyl]thio)ethyl)amine dihydrochlorideCimetidine Impurity JSCHEMBL8600409SCHEMBL10754189Cimetidine impurity J dihydrochlorideAKOS027426864AKOS030242042IM58265s11912AS-54549SY241117CS-0153441
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