3,4-Diaminothiophene dihydrochloride

C₄H₈Cl₂N₂SCAS 90069-81-1187.08 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₈Cl₂N₂S
Molar mass: 187.08 g/mol
Exact mass: 185.9785 Da
logP: 1.76Crippen estimate
Polar surface area: 52.0 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed97.7% of notifiers
H317 May cause an allergic skin reaction97.7% of notifiers
H318 Causes serious eye damage97.7% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P272, P280, P301+P316, P302+P352, P305+P354+P338, P317, P321, P330, P333+P317, P362+P364, P405, P501

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

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

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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