(2,5-Difluorophenyl)thiourea

• CAS: 207981-44-0
• Catalog Number: ACM207981440
• Category: Aryl Fluorinated Building Blocks
• Molecular Weight: 188.20
• Molecular Formula: C₇H₆F₂N₂S
• Synonyms: 207981-44-0, (2,5-Difluorophenyl)thiourea, 1-(2,5-Difluorophenyl)thiourea, 2,5-DIFLUOROPHENYLTHIOUREA, 1-(2,5-Difluorophenyl)-2-thiourea, AG-E-52688, ST50825287, amino[(2,5-difluorophenyl)amino]methane-1-thione, ZINC00156320, ACMC-209w9g, AC1MCO48, 654868_ALDRICH, AC1Q502L, N-(2,5-difluorophenyl)thiourea, CTK4E5138, MolPort-001-775-540, Thiourea,N-(2,5-difluorophenyl)-, ANW-46082, SBB090771, AKOS005207159
• IUPAC Name: (2,5-difluorophenyl)thiourea
• Canonical SMILES: C1=CC(=C(C=C1F)NC(=S)N)F
• InChI Key: JBWSNSWRTOFDBM-UHFFFAOYSA-N
• Boiling Point: 248.6ºC at 760 mmHg
• Melting Point: 140-144ºC(lit.)
• Flash Point: 104.1ºC
• Density: 1.493 g/cm³
• Exact Mass: 188.02200
• Hazard Statements: H302
• H-Bond Acceptor: 3
• H-Bond Donor: 2
• Packing Group: III
• RIDADR: NONH for all modes of transport
• Safety Description: S22-S36/37
• Symbol: GHS07

Custom Q&A

What is the molecular formula of (2,5-Difluorophenyl)thiourea?

The molecular formula of (2,5-Difluorophenyl)thiourea is C7H6F2N2S.

When was (2,5-Difluorophenyl)thiourea first created?

(2,5-Difluorophenyl)thiourea was first created on July 19, 2005.

What is the molecular weight of (2,5-Difluorophenyl)thiourea?

The molecular weight of (2,5-Difluorophenyl)thiourea is 188.20 g/mol.

What is the InChIKey of (2,5-Difluorophenyl)thiourea?

The InChIKey of (2,5-Difluorophenyl)thiourea is JBWSNSWRTOFDBM-UHFFFAOYSA-N.

How many hydrogen bond donor counts does (2,5-Difluorophenyl)thiourea have?

(2,5-Difluorophenyl)thiourea has 2 hydrogen bond donor counts.

What is the XLogP3 value of (2,5-Difluorophenyl)thiourea?

The XLogP3 value of (2,5-Difluorophenyl)thiourea is 1.4.

What is the topological polar surface area of (2,5-Difluorophenyl)thiourea?

The topological polar surface area of (2,5-Difluorophenyl)thiourea is 70.1 ?2.

Does (2,5-Difluorophenyl)thiourea have any defined atom stereocenter count?

No, (2,5-Difluorophenyl)thiourea does not have any defined atom stereocenter count.

Is (2,5-Difluorophenyl)thiourea considered canonicalized?

Yes, (2,5-Difluorophenyl)thiourea is considered canonicalized.

What is the CAS number of (2,5-Difluorophenyl)thiourea?

The CAS number of (2,5-Difluorophenyl)thiourea is 207981-44-0.

Synthetic Use

Upstream Synthesis Route 1

• 367-30-6

• 207981-44-0

Reference: [1]Taylor, Isabelle R.; Dunyak, Bryan M.; Komiyama, Tomoko; Shao, Hao; Ran, Xu; Assimon, Victoria A.; Kalyanaraman, Chakrapani; Rauch, Jennifer N.; Jacobson, Matthew P.; Zuiderweg, Erik R.P.; Gestwicki, Jason E.
[Journal of Biological Chemistry, 2018, vol. 293, # 11, p. 4014 - 4025]

Downstream Synthesis Route 1

• 207981-44-0
• 105-56-6

• 953777-38-3

Reference: [1]Current Patent Assignee: ASTRAZENECA PLC - WO2007/120097, 2007, A1
Location in patent: Page/Page column 39

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