1,2-Benzenediamine, 4-(propylthio)-, hydrochloride (1:?)

C9H15ClN2SCAS 57780-76-4218.74 g/mol

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SNH2NH2HCl
Primary amineSulfide

Properties

Molecular formula
C9H15ClN2S
Molar mass
218.74 g/mol
Exact mass
218.0644 Da
logP
2.77Crippen estimate
Polar surface area
52.0 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
57780-76-4
SMILES
CCCSc1ccc(N)c(N)c1.Cl
InChIKey
WEXOIPBOPIVXDZ-UHFFFAOYSA-N
InChI
InChI=1S/C9H14N2S.ClH/c1-2-5-12-7-3-4-8(10)9(11)6-7;/h3-4,6H,2,5,10-11H2,1H3;1H

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Names and synonyms

1 names
  • 1,2-Benzenediamine, 4-(propylthio)-, hydrochloride

Work with 1,2-Benzenediamine, 4-(propylthio)-, hydrochloride (1:?)

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

3,3′-Diaminobenzidine tetrahydrochloride7411-49-642 % similar 1,2,4-Triaminobenzene dihydrochloride615-47-441 % similar 4-Propoxybenzene-1,2-diamine56190-17-141 % similar 4-(Phenylthio)-1,2-benzenediamine43156-48-541 % similar 4-Methoxybenzene-1,2-diamine dihydrochloride59548-39-941 % similar 3,3'-Diaminobenzidine tetrahydrochloride dihydrate167684-17-539 % similar [1,1′-Biphenyl]-3,3′,4,4′-tetramine hydrochloride hydrate (1:4:?)868272-85-939 % similar 1,2,4,5-Tetraaminobenzene tetrahydrochloride4506-66-537 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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