Tizanidine

C₉H₈ClN₅SCAS 51322-75-9253.71 g/mol

Open in Covalent MOL file

Aryl halide Guanidine

Properties

Molecular formula: C₉H₈ClN₅S
Molar mass: 253.71 g/mol
Exact mass: 253.0189 Da
Melting point: 221–223 °C
logP: 1.72Crippen estimate
Polar surface area: 62.2 Å²
H-bond donors / acceptors: 2 / 6
Rotatable bonds: 1

Hazards

Warning

H302+H332 Harmful if swallowed or if inhaled66.7% of notifiers
H302 Harmful if swallowed100% of notifiers
H332 Harmful if inhaled100% of notifiers
H361 Suspected of damaging fertility or the unborn child66.7% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264, P270, P271, P280, P301+P317, P304+P340, P317, P318, P330, P405, P501

Identifiers

CAS number

51322-75-9

SMILES

Clc1ccc2nsnc2c1NC1=NCCN1

InChIKey

XFYDIVBRZNQMJC-UHFFFAOYSA-N

InChI

InChI=1S/C9H8ClN5S/c10-5-1-2-6-8(15-16-14-6)7(5)13-9-11-3-4-12-9/h1-2H,3-4H2,(H2,11,12,13)

Weigh it out

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

Names and synonyms

4 names

2,1,3-Benzothiadiazol-4-amine, 5-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-
5-Chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine
Tizalud
(5-Chloro-benzo[1,2,5]thiadiazol-4-yl)-(4,5-dihydro-1H-imidazol-2-yl)-amine

Work with Tizanidine

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.

Tizanidine hydrochloride64461-82-1Salt

Similar compounds

Clonidine4205-90-760 % similar Clonidine hydrochloride4205-91-856 % similar Apraclonidine66711-21-551 % similar Apraclonidine hydrochloride73218-79-848 % similar 5-Chloro-4-amino-2,1,3-benzothiadiazole115398-34-042 % similar 5-Chloro-4-amino-2,1,3-benzothiadiazole30536-19-742 % similar Brimonidine59803-98-440 % similar Moxonidine75438-57-236 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook