2-Tetrahydrofurfuryl isothiocyanate

C₆H₉NOSCAS 36810-87-4143.20 g/mol

Open in Covalent MOL file

Ether Isothiocyanate

Properties

Molecular formula: C₆H₉NOS
Molar mass: 143.20 g/mol
Exact mass: 143.0405 Da
logP: 1.27Crippen estimate
Polar surface area: 21.6 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Hazards

Danger

H301 Toxic if swallowed86.7% of notifiers
H302 Harmful if swallowed11.1% of notifiers
H312 Harmful in contact with skin11.1% of notifiers
H314 Causes severe skin burns and eye damage11.1% of notifiers
H331 Toxic if inhaled11.1% 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, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

36810-87-4

SMILES

C1CC(OC1)CN=C=S

InChIKey

CSFIFTGMGITVRE-UHFFFAOYSA-N

InChI

InChI=1S/C6H9NOS/c9-5-7-4-6-2-1-3-8-6/h6H,1-4H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

2-(Isothiocyanatomethyl)oxolane

Work with 2-Tetrahydrofurfuryl isothiocyanate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(R)-(-)-Tetrahydrofurfuryl alcohol22415-59-445 % similar Tetrahydrofurfuryl alcohol97-99-445 % similar 2-(Bromomethyl)tetrahydrofuran1192-30-940 % similar 2-Chloromethyl tetrahydrofuran3003-84-740 % similar Tetrahydrofurfurylamine4795-29-340 % similar Isobutyl isothiocyanate591-82-240 % similar (S)-(+)-Tetrahydrofurfurylamine7175-81-740 % similar (R)-(-)-Tetrahydrofurfurylamine7202-43-940 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Methyl-5-(2-hydroxyethyl)thiazole137-00-8

Elsewhere

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