2-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 liquid50% of notifiers
- H302 Harmful if swallowed100% of notifiers
- H312 Harmful in contact with skin50% of notifiers
- H315 Causes skin irritation50% of notifiers
- H317 May cause an allergic skin reaction100% of notifiers
- H319 Causes serious eye irritation50% of notifiers
- H332 Harmful if inhaled50% of notifiers
- H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled100% of notifiers
- H335 May cause respiratory irritation50% of notifiers
Aggregated from 2 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
2048-57-9SMILES
C1=CSC(=C1)N=C=OInChIKey
QVLWPBIUVXZGRK-UHFFFAOYSA-NInChI
InChI=1S/C5H3NOS/c7-4-6-5-2-1-3-8-5/h1-3HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- 2-Thienyl isocyanate
Work with 2-Isocyanatothiophene
Similar compounds
Phenyl isocyanate103-71-943 % similar
1,3-Diisocyanatobenzene123-61-543 % similar
p-Phenylene diisocyanate104-49-442 % similar
1,5-Naphthalene diisocyanate3173-72-640 % similar
N-2-Thienylacetamide13053-81-139 % similar
2,6-Dichlorophenyl isocyanate39920-37-139 % similar
2-Bromophenyl isocyanate1592-00-338 % similar
2,6-Dimethylphenyl isocyanate28556-81-238 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.