2-(3-Chlorophenoxy)ethanethioamide

• Catalog Number: ACMA00002747
• Category: Ethers
• Molecular Weight: 201.67
• Molecular Formula: C₈H₈BrNO₂
• Hazard Statements: H314
• RIDADR: NONH for all modes of transport
• Symbol: GHS05

Custom Q&A

What is the molecular formula of the compound?

The molecular formula of the compound is C8H8ClNOS.

What is the molecular weight of the compound?

The molecular weight of the compound is 201.67 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 2-(3-chlorophenoxy)ethanethioamide.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C8H8ClNOS/c9-6-2-1-3-7(4-6)11-5-8(10)12/h1-4H,5H2,(H2,10,12).

What is the InChIKey of the compound?

The InChIKey of the compound is RPAOLVIADVQKNA-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is C1=CC(=CC(=C1)Cl)OCC(=S)N.

What is the XLogP3 value of the compound?

The XLogP3 value of the compound is 2.

How many hydrogen bond donor groups are present in the compound?

There is 1 hydrogen bond donor group present in the compound.

How many hydrogen bond acceptor groups are present in the compound?

There are 2 hydrogen bond acceptor groups present in the compound.

How many rotatable bonds are present in the compound?

There are 3 rotatable bonds present in the compound.