3-Isocyanatothiophene
Properties
- Molecular formula
- C5H3NOS
- Molar mass
- 125.14 g/mol
- Exact mass
- 124.9935 Da
- logP
- 1.72Crippen estimate
- Polar surface area
- 29.4 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 1
Hazards
Danger
- H227 Combustible liquid66.7% of notifiers
- H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled33.3% of notifiers
- H302 Harmful if swallowed66.7% of notifiers
- H312 Harmful in contact with skin66.7% of notifiers
- H315 Causes skin irritation100% of notifiers
- H317 May cause an allergic skin reaction66.7% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H332 Harmful if inhaled66.7% of notifiers
- H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled66.7% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P370+P378, P403, P403+P233, P405, P501
Identifiers
CAS number
76536-95-3SMILES
C1=CSC=C1N=C=OInChIKey
PVIZQOWWCLBJES-UHFFFAOYSA-NInChI
InChI=1S/C5H3NOS/c7-4-6-5-1-2-8-3-5/h1-3HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- 3-Thienyl isocyanate
Work with 3-Isocyanatothiophene
Similar compounds
p-Phenylene diisocyanate104-49-454 % similar
Phenyl isocyanate103-71-948 % similar
1,3-Diisocyanatobenzene123-61-548 % similar
4-Chlorophenyl isocyanate104-12-145 % similar
4-Isocyanatopyridine70067-45-745 % similar
3,4-Difluorophenyl isocyanate42601-04-744 % similar
Methylene diphenyl diisocyanate101-68-843 % similar
4-Fluorophenyl isocyanate1195-45-543 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.