3,4,5-Trimethoxyphenyl isothiocyanate
Properties
- Molecular formula
- C10H11NO3S
- Molar mass
- 225.26 g/mol
- Exact mass
- 225.0460 Da
- logP
- 2.45Crippen estimate
- Polar surface area
- 40.0 Ų
- H-bond donors / acceptors
- 0 / 5
- Rotatable bonds
- 4
Hazards
Danger
- H302 Harmful if swallowed97.7% of notifiers
- H312 Harmful in contact with skin97.7% of notifiers
- H315 Causes skin irritation90.9% of notifiers
- H319 Causes serious eye irritation90.9% of notifiers
- H332 Harmful if inhaled97.7% of notifiers
- H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled88.6% of notifiers
- H335 May cause respiratory irritation90.9% of notifiers
Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, P501
Identifiers
CAS number
35967-24-9SMILES
COc1cc(N=C=S)cc(OC)c1OCInChIKey
AFWKAIYTSPWWCA-UHFFFAOYSA-NInChI
InChI=1S/C10H11NO3S/c1-12-8-4-7(11-6-15)5-9(13-2)10(8)14-3/h4-5H,1-3H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
2 names
- Benzene, 5-isothiocyanato-1,2,3-trimethoxy-
- 5-Isothiocyanato-1,2,3-trimethoxybenzene
Work with 3,4,5-Trimethoxyphenyl isothiocyanate
Similar compounds
4-Isothiocyanato-1,2-dimethoxybenzene33904-04-066 % similar
3,5-Dimethoxyphenyl isothiocyanate104968-58-361 % similar
4-Methoxyphenyl isothiocyanate2284-20-052 % similar
1-Isothiocyanato-3-methoxybenzene3125-64-250 % similar
2,4-Dimethoxyphenyl isothiocyanate33904-03-949 % similar
2,5-Dimethoxyphenyl isothiocyanate40532-06-749 % similar
2-Methoxyphenyl isothiocyanate3288-04-849 % similar
2-Methoxy-5-methylphenyl isothiocyanate190774-56-247 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.