(2,6-Difluorophenyl)thiourea

• CAS: 59772-31-5
• Catalog Number: ACM59772315
• Category: Aryl Fluorinated Building Blocks
• Molecular Weight: 188.20
• Molecular Formula: C₇H₆F₂N₂S
• Synonyms: (2,6-Difluorophenyl)thiourea, 1-(2,6-Difluorophenyl)-2-thiourea, ACMC-20apq6, 2,6-difluorophenylthiourea, 654876_ALDRICH, AC1MD475, CTK7D3943, MolPort-001-772-652, SBB090769, ZINC00098989, AKOS009156179, AG-A-12040, PC10574, KB-89409, amino[(2,6-difluorophenyl)amino]methane-1-thione, 59772-31-5
• IUPAC Name: (2,6-difluorophenyl)thiourea
• InChI Key: AWPKXPUZILRUDJ-UHFFFAOYSA-N
• Boiling Point: 240.4ºC at 760 mmHg
• Melting Point: 155-159ºC(lit.)
• Flash Point: 99.2ºC
• Density: 1.493g/cm³
• Exact Mass: 188.02200
• Hazard Statements: H315-H319-H335
• H-Bond Acceptor: 3
• H-Bond Donor: 2
• RIDADR: NONH for all modes of transport
• Symbol: GHS07

Custom Q&A

What is the molecular formula of (2,6-Difluorophenyl)thiourea?

The molecular formula of (2,6-Difluorophenyl)thiourea is C7H6F2N2S.

When was the (2,6-Difluorophenyl)thiourea created in PubChem?

(2,6-Difluorophenyl)thiourea was created in PubChem on July 19, 2005.

What is the molecular weight of (2,6-Difluorophenyl)thiourea?

The molecular weight of (2,6-Difluorophenyl)thiourea is 188.20 g/mol.

What is the InChIKey of (2,6-Difluorophenyl)thiourea?

The InChIKey of (2,6-Difluorophenyl)thiourea is AWPKXPUZILRUDJ-UHFFFAOYSA-N.

How many hydrogen bond donor counts does (2,6-Difluorophenyl)thiourea have?

(2,6-Difluorophenyl)thiourea has 2 hydrogen bond donor counts.

What is the XLogP3 value of (2,6-Difluorophenyl)thiourea?

The XLogP3 value of (2,6-Difluorophenyl)thiourea is 0.7.

How many heavy atom counts does (2,6-Difluorophenyl)thiourea have?

(2,6-Difluorophenyl)thiourea has 12 heavy atom counts.

Is the compound canonicalized in PubChem?

Yes, the compound is canonicalized in PubChem.

What is the topological polar surface area of (2,6-Difluorophenyl)thiourea?

The topological polar surface area of (2,6-Difluorophenyl)thiourea is 70.1?2.

What is the formal charge of (2,6-Difluorophenyl)thiourea?

The formal charge of (2,6-Difluorophenyl)thiourea is 0.

Synthetic Use

Downstream Synthesis Route 1

• 59772-31-5
• 5349-17-7

• 1187669-30-2

Reference: [1]Patent: WO2009/114552,2009,A1 .Location in patent: Page/Page column 152

* For details of the synthesis route, please refer to the original source to ensure accuracy.