CAS: 52378-40-2
Name: methyl N-cyano-N'-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]carbamimidothioate
SMILES:
CC1=C(N=CN1)CSCCN=C(NC#N)SCMolecular Processing
Molecular formula
C10H15N5S2
Molecular weight
269.4
Exact mass
269.0769
XLogP
1.74
TPSA
76.86
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
74.05
Supplementary Information
InChIKey: WSUNDBVVUCLXTG-UHFFFAOYSA-N
Synonyme
52378-40-2EINECS 257-889-51-Cyano-2-methyl-3-(2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)isothioureaDTXSID50200396EC 257-889-51-cyano-2-methyl-3-[2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]isothioureaRefChem:431529DTXCID50122887257-889-5Cimetidine EP Impurity Amethyl N-cyano-N'-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]carbamimidothioateN-Cyano-N'-[2-[(4-methyl-5-imidazolyl)methylthio]ethyl]-S-methylisothiourea(E)-methyl N'-cyano-N-(2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)carbamimidothioateN-Cyano-N'-2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl-S-methylisothioureaMethyl N-cyano-N'-[2-[[(4-methyl-1H-imidazol-5-yl)methyl]thio]ethyl]carbamimidothioate3-Cyano-2-methyl-1-[2-[[(5-methyl-1H-imidazol-4-yl)methyl]sulphanyl]ethyl]isothioureaN-cyano-N'-[2-((4-methyl-5-imidazolyl)methylthio)ethyl]-S-methyl isothioureaN-cyano-N'-[2-((4-methyl-5-imidazolyl)methylthio)ethyl]-S-methylisothioureaN-cyano-N'-[2-((5-methyl-4-imidazolyl)methylthio)ethyl]-S-methylisothioureaN-cyano-N'-{2-[(4-methyl-5-imidazolyl)methylthio]ethyl}-S-methyl isothioureaN-cyano-N'-{2-[(4-methyl-5-imidazolyl)methylthio]ethyl}-S-methylisothioureaN-cyano-N'-{2-[(5-methyl-4-imidazolyl)methylthio]ethyl}-S-methylisothioureaC10H15N5S2Cimetidine Hydrochloride Imp. A (EP); Cimetidine Imp. A (EP); 3-Cyano-2-methyl-1-[2-[[(5-methyl-1H-imidazol-4-yl)methyl]sulphanyl]ethyl]isothiourea; Cimetidine Hydrochloride Impurity A; Cimetidine Impurity A; Cimetidine Impurity ACimetidine impurity Amethyl n-cyano-n'-(2-{[(5-methyl-1h-imidazol-4-yl)methyl]sulfanyl}ethyl)carbamimidothioateSCHEMBL9639217SCHEMBL9639221SCHEMBL9639224SCHEMBL11006337
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