chempirical

Cimetidine hydrochloride

C10H17ClN6SCAS 70059-30-2288.80 g/mol

Open in Covalent MOL file
NNHNHNSHNNHCl
GuanidineNitrileSulfide

Properties

Molecular formula
C10H17ClN6S
Molar mass
288.80 g/mol
Exact mass
288.0924 Da
logP
1.02Crippen estimate
Polar surface area
88.9 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
5

Identifiers

CAS number
70059-30-2
SMILES
CN=C(NC#N)NCCSCc1[nH]cnc1C.Cl
InChIKey
QJHCNBWLPSXHBL-UHFFFAOYSA-N
InChI
InChI=1S/C10H16N6S.ClH/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11;/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14);1H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

9 names
  • Guanidine, N-cyano-N′-methyl-N′′-[2-[[(4-methyl-1H-imidazol-5-yl)methyl]thio]ethyl]-, hydrochloride (1:1)
  • Guanidine, N-cyano-N′-methyl-N′′-[2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]-, monohydrochloride
  • Cimetex
  • Biomag
  • Brumetidina
  • Notul
  • Tagamet liquid
  • Tagamet injection
  • Aciloc

Work with Cimetidine hydrochloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Cimetidine51481-61-994 % similar 4-Methyl-1H-imidazole-5-methanol hydrochloride38585-62-536 % similar 4-(Hydroxymethyl)-5-methylimidazole29636-87-131 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook