1-(3-Ethoxycarbonylphenyl)-2-thiourea

• Catalog Number: ACMA00002045
• Category: Ethers
• Molecular Weight: 224.28
• Molecular Formula: C₁₀H₁₁N₃O₂
• Hazard Statements: H302
• RIDADR: NONH for all modes of transport
• Symbol: GHS07

Custom Q&A

What is the molecular formula of the compound?

The molecular formula of the compound is C10H12N2O2S.

What is the molecular weight of the compound?

The molecular weight of the compound is 224.28 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is ethyl 3-(carbamothioylamino)benzoate.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C10H12N2O2S/c1-2-14-9(13)7-4-3-5-8(6-7)12-10(11)15/h3-6H,2H2,1H3,(H3,11,12,15).

What is the InChIKey of the compound?

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

What is the XLogP3 value of the compound?

The XLogP3 value of the compound is 1.7.

How many hydrogen bond donor count does the compound have?

The compound has 2 hydrogen bond donor counts.

How many hydrogen bond acceptor count does the compound have?

The compound has 3 hydrogen bond acceptor counts.

How many rotatable bond count does the compound have?

The compound has 4 rotatable bond counts.

What is the topological polar surface area of the compound?

The topological polar surface area of the compound is 96.4Ų.