2-Isopropylphenyl isothiocyanate
Properties
- Molecular formula
- C10H11NS
- Molar mass
- 177.26 g/mol
- Exact mass
- 177.0612 Da
- logP
- 3.54Crippen estimate
- Polar surface area
- 12.4 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 2
Hazards
Danger
- H301 Toxic if swallowed42.9% of notifiers
- H302 Harmful if swallowed57.1% of notifiers
- H311 Toxic in contact with skin42.9% of notifiers
- H312 Harmful in contact with skin57.1% of notifiers
- H314 Causes severe skin burns and eye damage71.4% of notifiers
- H315 Causes skin irritation28.6% of notifiers
- H319 Causes serious eye irritation28.6% of notifiers
- H330 Fatal if inhaled14.3% of notifiers
- H331 Toxic if inhaled28.6% of notifiers
- H332 Harmful if inhaled57.1% of notifiers
- H335 May cause respiratory irritation28.6% of notifiers
Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P363, P403+P233, P405, P501
Identifiers
CAS number
36176-31-5SMILES
CC(C)C1=CC=CC=C1N=C=SInChIKey
QQOOMDSEMQHMIR-UHFFFAOYSA-NInChI
InChI=1S/C10H11NS/c1-8(2)9-5-3-4-6-10(9)11-7-12/h3-6,8H,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 2-Isopropylphenyl isothiocyanate
Similar compounds
2-Isothiocyanato-1,3-bis(1-methylethyl)benzene25343-70-865 % similar
o-Isopropylphenyl isocyanate56309-56-963 % similar
2-Methylphenyl isothiocyanate614-69-753 % similar
1-Bromo-2-isothiocyanatobenzene13037-60-050 % similar
2-Isothiocyanato-1,3-bis(1-methylethyl)-5-phenoxybenzene80058-93-150 % similar
1-Ethyl-2-isothiocyanatobenzene19241-19-149 % similar
2-Methoxyphenyl isothiocyanate3288-04-849 % similar
2-Chlorophenyl isothiocyanate2740-81-048 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.