3-Methyl-2-benzothiazolinone hydrazone hydrochloride monohydrate
Properties
- Molecular formula
- C8H12ClN3OS
- Molar mass
- 233.71 g/mol
- Exact mass
- 233.0390 Da
- logP
- 0.61Crippen estimate
- Polar surface area
- 74.8 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 0
- Double bonds
- ZE/Z, in SMILES order
Hazards
Danger
- H301+H311+H331 Toxic if swallowed, in contact with skin or if inhaled25% of notifiers
- H301 Toxic if swallowed75% of notifiers
- H315 Causes skin irritation50% of notifiers
- H319 Causes serious eye irritation75% of notifiers
- H335 May cause respiratory irritation50% of notifiers
- H351 Suspected of causing cancer25% of notifiers
Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P318, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
38894-11-0SMILES
CN\1C2=CC=CC=C2S/C1=N\N.O.ClInChIKey
IYXXQOGEFHAQGU-GPWRMYTLSA-NInChI
InChI=1S/C8H9N3S.ClH.H2O/c1-11-6-4-2-3-5-7(6)12-8(11)10-9;;/h2-5H,9H2,1H3;1H;1H2/b10-8-;;Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 3-Methyl-2-benzothiazolinone hydrazone hydrochloride monohydrate
Similar compounds
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds