(4-Isothiocyanatophenyl)(3-methylphenyl)amine

• CAS: 27174-03-4
• Catalog Number: ACM27174034
• Category: Amines
• Molecular Weight: 240.32
• Molecular Formula: C₁₄H₁₀N₂O₃S
• Synonyms: CHEMBRDG-BB 4150308;(4-ISOTHIOCYANATOPHENYL)(3-METHYLPHENYL)AMINE
• Hazard Statements: H302
• RIDADR: UN 2811 6.1 / PGIII
• Symbol: GHS07

Custom Q&A

What is the molecular formula of the compound?

The molecular formula is C14H12N2S.

What are the synonyms for the compound?

The synonyms for the compound are (4-ISOTHIOCYANATOPHENYL)(3-METHYLPHENYL)AMINE, 27174-03-4, N-(4-isothiocyanatophenyl)-3-methylaniline, SCHEMBL18662186, and DTXSID50651046.

What is the molecular weight of the compound?

The molecular weight is 240.33 g/mol.

When was the compound created and last modified?

The compound was created on May 28, 2009, and last modified on November 25, 2023.

What is the IUPAC name of the compound?

The IUPAC name of the compound is N-(4-isothiocyanatophenyl)-3-methylaniline.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C14H12N2S/c1-11-3-2-4-14(9-11)16-13-7-5-12(6-8-13)15-10-17/h2-9,16H,1H3.

What is the InChIKey of the compound?

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

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is CC1=CC(=CC=C1)NC2=CC=C(C=C2)N=C=S.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value of the compound is 5.2.

How many hydrogen bond donor counts does the compound have?

The compound has 1 hydrogen bond donor count.