4,5,6,7-Tetrahydro-2,6-benzothiazolediamine

C₇H₁₁N₃SCAS 104617-49-4169.25 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₁₁N₃S
Molar mass: 169.25 g/mol
Exact mass: 169.0674 Da
logP: 0.37Crippen estimate
Polar surface area: 65.7 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation92.7% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation92.7% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

104617-49-4

SMILES

N=c1[nH]c2c(s1)CC(N)CC2

InChIKey

DRRYZHHKWSHHFT-UHFFFAOYSA-N

InChI

InChI=1S/C7H11N3S/c8-4-1-2-5-6(3-4)11-7(9)10-5/h4H,1-3,8H2,(H2,9,10)

Weigh it out

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

Names and synonyms

5 names

2,6-Benzothiazolediamine, 4,5,6,7-tetrahydro-
2,6-Diamino-4,5,6,7-tetrahydro-1,3-benzothiazole
2,6-Diamino-4,5,6,7-tetrahydrobenzothiazole
4,5,6,7-Tetrahydrobenzothiazole-2,6-diamine
(RS)-2,6-Diamino-4,5,6,7-tetrahydrobenzothiazole

Work with 4,5,6,7-Tetrahydro-2,6-benzothiazolediamine

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(S)-2,6-Diamino-4,5,6,7-tetrahydrobenzothiazole106092-09-5Defined stereoisomer (6R)-4,5,6,7-Tetrahydro-1,3-benzothiazole-2,6-diamine106092-11-9

Similar compounds

Pramipexole104632-26-051 % similar Dexpramipexole104632-28-251 % similar 4,5,6,7-Tetrahydro-2-benzothiazolamine2933-29-150 % similar Pramipexole dihydrochloride104632-25-948 % similar Pramipexole propionamide106006-84-247 % similar Pramipexole dihydrochloride monohydrate191217-81-945 % similar Domin36085-73-135 % similar 1,1-Dimethylethyl 2-amino-6,7-dihydrothiazolo[5,4-c]pyridine-5(4H)-carboxylate365996-05-032 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Ethyl-3-methylimidazolium thiocyanate331717-63-6 1-(2-Thiazolyl)piperazine42270-37-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook