Trimethylsilyl isothiocyanate
Properties
- Molecular formula
- C4H9NSSi
- Molar mass
- 131.27 g/mol
- Exact mass
- 131.0225 Da
- Density
- 0.93 g/mL
- Melting point
- −33 °C
- Boiling point
- 144 °C
- logP
- 1.92Crippen estimate
- Polar surface area
- 12.4 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Hazards
Danger
- H226 Flammable liquid and vapor100% of notifiers
- H301 Toxic if swallowed97.9% of notifiers
- H311 Toxic in contact with skin89.4% of notifiers
- H315 Causes skin irritation97.9% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H331 Toxic if inhaled97.9% of notifiers
- H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled89.4% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P342+P316, P361+P364, P362+P364, P370+P378, P403, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
2290-65-5SMILES
C[Si](C)(C)N=C=SInChIKey
XLTUPERVRFLGLJ-UHFFFAOYSA-NInChI
InChI=1S/C4H9NSSi/c1-7(2,3)5-4-6/h1-3H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
3 names
- Silane, isothiocyanatotrimethyl-
- Isothiocyanatotrimethylsilane
- Trimethylisothiocyanatosilane
Work with Trimethylsilyl 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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
Bis(trimethylsilyl)carbodiimide1000-70-050 % similar
Trimethylsilyl isocyanate1118-02-143 % similar
Methyl isothiocyanate556-61-635 % similar
Isopropyl isothiocyanate2253-73-830 % similar
Ethyl isothiocyanate542-85-830 % similar
tert-Butyl isothiocyanate590-42-130 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.