2,5-Diamino-1,4-benzenedithiol dihydrochloride

C6H10Cl2N2S2CAS 75464-52-7245.18 g/mol

Open in Covalent MOL file
HSH2NSHNH2HClHCl
Primary amineThiol

Properties

Molecular formula
C6H10Cl2N2S2
Molar mass
245.18 g/mol
Exact mass
243.9662 Da
logP
2.27Crippen estimate
Polar surface area
52.0 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
75464-52-7
SMILES
C1=C(C(=CC(=C1S)N)S)N.Cl.Cl
InChIKey
HVXLKRWRWNFGBA-UHFFFAOYSA-N
InChI
InChI=1S/C6H8N2S2.2ClH/c7-3-1-5(9)4(8)2-6(3)10;;/h1-2,9-10H,7-8H2;2*1H

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Work with 2,5-Diamino-1,4-benzenedithiol dihydrochloride

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

1,2,4,5-Tetraaminobenzene tetrahydrochloride4506-66-553 % similar 3-Amino-4-mercaptobenzotrifluoride hydrochloride4274-38-850 % similar 2-Amino-4-chlorothiophenol1004-00-844 % similar 2-Aminothiophenol137-07-542 % similar 4,6-Diaminoresorcinol dihydrochloride16523-31-240 % similar 3,3′-Diaminobenzidine tetrahydrochloride7411-49-640 % similar 3,4-Diaminothiophene dihydrochloride90069-81-139 % similar 1,2,4-Triaminobenzene dihydrochloride615-47-438 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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