chempirical

Domin

C10H17Cl2N3SCAS 36085-73-1282.23 g/mol

Open in Covalent MOL file
NNHNHSHClHCl
AlkeneTertiary amine

Properties

Molecular formula
C10H17Cl2N3S
Molar mass
282.23 g/mol
Exact mass
281.0520 Da
Melting point
245 °C (decomposes)
logP
1.99Crippen estimate
Polar surface area
42.9 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

Identifiers

CAS number
36085-73-1
SMILES
C=CCN1CCc2[nH]c(=N)sc2CC1.Cl.Cl
InChIKey
DPQAXNSOFFYKDS-UHFFFAOYSA-N
InChI
InChI=1S/C10H15N3S.2ClH/c1-2-5-13-6-3-8-9(4-7-13)14-10(11)12-8;;/h2H,1,3-7H2,(H2,11,12);2*1H

Weigh it out

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

Names and synonyms

5 names
  • 4H-Thiazolo[4,5-d]azepin-2-amine, 5,6,7,8-tetrahydro-6-(2-propen-1-yl)-, hydrochloride (1:2)
  • 4H-Thiazolo[4,5-d]azepin-2-amine, 5,6,7,8-tetrahydro-6-(2-propenyl)-, dihydrochloride
  • B-HT 920
  • Talipexole dihydrochloride
  • 6-Allyl-2-amino-5,6,7,8-tetrahydro-4H-thiazolo[4,5-d]azepine dihydrochloride

Work with Domin

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

4,5,6,7-Tetrahydro-2-benzothiazolamine2933-29-145 % similar 4,5,6,7-Tetrahydro-2,6-benzothiazolediamine104617-49-435 % similar (6S)-4,5,6,7-Tetrahydro-2,6-benzothiazolediamine106092-09-535 % similar 1,1-Dimethylethyl 2-amino-6,7-dihydrothiazolo[5,4-C]pyridine-5(4H)-carboxylate365996-05-035 % similar Pramipexole dihydrochloride monohydrate191217-81-934 % similar

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

Elsewhere

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