2-(Isothiocyanatomethyl)furan
Properties
- Molecular formula
- C6H5NOS
- Molar mass
- 139.17 g/mol
- Exact mass
- 139.0092 Da
- Boiling point
- 43–48 °C (at 12 Torr)
- logP
- 1.88Crippen estimate
- Polar surface area
- 25.5 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 2
Hazards
Danger
- H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled86.7% of notifiers
- H302 Harmful if swallowed97.8% of notifiers
- H312 Harmful in contact with skin97.8% of notifiers
- H314 Causes severe skin burns and eye damage97.8% of notifiers
- H317 May cause an allergic skin reaction88.9% of notifiers
- H332 Harmful if inhaled97.8% of notifiers
Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P261, P264, P270, P271, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P362+P364, P363, P405, P501
Identifiers
CAS number
4650-60-6SMILES
S=C=NCc1ccco1InChIKey
ICXYINJACKJQQV-UHFFFAOYSA-NInChI
InChI=1S/C6H5NOS/c9-5-7-4-6-2-1-3-8-6/h1-3H,4H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- Furan, 2-(isothiocyanatomethyl)-
- Isothiocyanic acid, furfuryl ester
- 2-Furfuryl isothiocyanate
- Furfuryl isothiocyanate
- 2-Furylmethyl isothiocyanate
- 2-Furanylmethyl isothiocyanate
Work with 2-(Isothiocyanatomethyl)furan
Similar compounds
Benzyl isothiocyanate622-78-650 % similar
Difurfuryl sulfide13678-67-648 % similar
2-Ethylfuran3208-16-043 % similar
Difurfuryl disulfide4437-20-143 % similar
2-Furanmethanamine617-89-043 % similar
Furfuryl alcohol98-00-043 % similar
Furan-2-ylmethanethiol98-02-243 % similar
1-Chloro-2-(isothiocyanatomethyl)benzene18967-44-743 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds