chempirical

3,4-Diaminothiophene dihydrochloride

C4H8Cl2N2SCAS 90069-81-1187.08 g/mol

Open in Covalent MOL file
SNH2NH2HClHCl
Primary amine

Properties

Molecular formula
C4H8Cl2N2S
Molar mass
187.08 g/mol
Exact mass
185.9785 Da
logP
1.76Crippen estimate
Polar surface area
52.0 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
0

Hazards

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

Identifiers

CAS number
90069-81-1
SMILES
C1=C(C(=CS1)N)N.Cl.Cl
InChIKey
RAMOMCXNLLLICQ-UHFFFAOYSA-N
InChI
InChI=1S/C4H6N2S.2ClH/c5-3-1-7-2-4(3)6;;/h1-2H,5-6H2;2*1H

Weigh it out

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Work with 3,4-Diaminothiophene 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 tetrahydrochloride4506-66-550 % similar Methyl 4-aminothiophene-3-carboxylate Hydrochloride39978-14-845 % similar 2,5-Diamino-1,4-benzenedithiol dihydrochloride75464-52-739 % similar 4,6-Diaminoresorcinol dihydrochloride16523-31-238 % similar 3,3′-Diaminobenzidine tetrahydrochloride7411-49-638 % similar 1,2,4-Triaminobenzene dihydrochloride615-47-436 % similar 1,4-Diaminobenzene dihydrochloride624-18-035 % similar 1,3,5-Triaminobenzene trihydrochloride638-09-535 % similar

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

Elsewhere

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