CAS: 38585-67-0
이름: 2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethanamine
SMILES:
CC1=C(N=CN1)CSCCNMolecular Processing
Molecular formula
C7H13N3S
Molecular weight
171.27
Exact mass
171.083
XLogP
0.91
TPSA
54.7
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
11
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
48.54
Supplementary Information
InChIKey: JEOZNMMOIBLWLV-UHFFFAOYSA-N
동의어
38585-67-04-(((2-Aminoethyl)thio)methyl)-5-methylimidazoleEINECS 254-022-24-[[(2-aminoethyl)thio]methyl]-5-methylimidazoleDTXSID001919072-(((4-Methyl-1H-imidazol-5-yl)methyl)thio)ethanamine2-[[(4-Methyl-1H-imidazol-5-yl)methyl]thio]ethanamine2-{[(4-methyl-1H-imidazol-5-yl)methyl]thio}ethanamineRefChem:508520DTXCID00114398254-022-2Cimetidine EP Impurity J2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethanamine2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethan-1-amine(2-{[(4-methyl-1H-imidazol-5-yl)methyl]thio}ethyl)amine2-(((4-Methyl-1H-imidazol-5-yl)methyl)thio)ethan-1-amine2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethanamine2-((5-methyl-4-imidazolyl)methylthio)ethylamine2-[(5-methyl-4-imidazolyl)methylthio]ethylamine4-methyl-5-((2-aminoethyl)thiomethyl)-imidazole4-methyl-5-((2-aminoethyl)thiomethyl)imidazole4-methyl-5-[(2-aminoethyl)thiomethyl)imidazole4-methyl-5-[(2-aminoethyl)thiomethyl]-imidazole4-methyl-5-[(2-aminoethyl)thiomethyl]imidazole2-{[(5-Methyl-1H-imidazol-4-yl)methyl]-thio}ethanamine2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamine2-{(5-methyl-1H-imidazol-4-yl)methylthio}ethylamine2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethanamineSCHEMBL9574691SCHEMBL9628501
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