(6R)-4,5,6,7-Tetrahydro-1,3-benzothiazole-2,6-diamine

C₇H₁₁N₃SCAS 106092-11-9169.25 g/mol

Open in Covalent MOL file

Primary amine

Properties

Molecular formula: C₇H₁₁N₃S
Molar mass: 169.25 g/mol
Exact mass: 169.0674 Da
logP: 0.54Crippen estimate
Polar surface area: 64.9 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 0
Stereocentres: Rin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin75% of notifiers
H315 Causes skin irritation25% of notifiers
H317 May cause an allergic skin reaction75% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled75% of notifiers
H335 May cause respiratory irritation75% of notifiers
H412 Harmful to aquatic life with long lasting effects25% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

106092-11-9

SMILES

C1CC2=C(C[C@@H]1N)SC(=N2)N

InChIKey

DRRYZHHKWSHHFT-SCSAIBSYSA-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)/t4-/m1/s1

Weigh it out

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

Names and synonyms

1 names

(+)-(6R)-2,6-Diamino-4,5,6,7-tetrahydrobenzothiazole

Work with (6R)-4,5,6,7-Tetrahydro-1,3-benzothiazole-2,6-diamine

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-tetrahydrobenzothiazole106092-09-5 4,5,6,7-Tetrahydro-2,6-benzothiazolediamine104617-49-4

Similar compounds

5,6-Dihydro-4H-cyclopenta[d]thiazol-2-amine hydrochloride82514-58-747 % similar 2-Amino-6-(propylamino)-5,6-dihydrobenzo[D]thiazol-7(4H)-one1286047-33-333 % similar 2-Amino-4,5,6,7-tetrahydro-1,3-benzothiazol-7-one17583-10-733 % similar (S)-1,2,3,4-Tetrahydro-2-naphthylamine21880-87-532 % similar 2-Aminotetralin2954-50-932 % 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