Methyl 2-isothiocyanatobenzoate

• Catalog Number: ACMA00002959
• Category: Ethers
• Molecular Weight: 193.22
• Molecular Formula: C₉H₇F₃O₂
• Hazard Statements: H302-H318
• RIDADR: UN 2811 6.1 / PGIII
• Symbol: GHS05

Custom Q&A

What is the molecular formula of Methyl 2-isothiocyanatobenzoate?

The molecular formula of Methyl 2-isothiocyanatobenzoate is C9H7NO2S.

What is the molecular weight of Methyl 2-isothiocyanatobenzoate?

The molecular weight of Methyl 2-isothiocyanatobenzoate is 193.22 g/mol.

What is the IUPAC name of Methyl 2-isothiocyanatobenzoate?

The IUPAC name of Methyl 2-isothiocyanatobenzoate is methyl 2-isothiocyanatobenzoate.

What is the InChI of Methyl 2-isothiocyanatobenzoate?

The InChI of Methyl 2-isothiocyanatobenzoate is InChI=1S/C9H7NO2S/c1-12-9(11)7-4-2-3-5-8(7)10-6-13/h2-5H,1H3.

What is the InChIKey of Methyl 2-isothiocyanatobenzoate?

The InChIKey of Methyl 2-isothiocyanatobenzoate is UNXVHBOJSCWVCD-UHFFFAOYSA-N.

What is the canonical SMILES of Methyl 2-isothiocyanatobenzoate?

The canonical SMILES of Methyl 2-isothiocyanatobenzoate is COC(=O)C1=CC=CC=C1N=C=S.

What is the CAS number of Methyl 2-isothiocyanatobenzoate?

The CAS number of Methyl 2-isothiocyanatobenzoate is 16024-82-1.

What is the EC number of Methyl 2-isothiocyanatobenzoate?

The EC number of Methyl 2-isothiocyanatobenzoate is 240-164-2.

What is the XLogP3 value of Methyl 2-isothiocyanatobenzoate?

The XLogP3 value of Methyl 2-isothiocyanatobenzoate is 3.2.

Is Methyl 2-isothiocyanatobenzoate a canonicalized compound?

Yes, Methyl 2-isothiocyanatobenzoate is a canonicalized compound according to PubChem.