Thiocarbanilide

• CAS: 102-08-9
• Catalog Number: ACM102089-1
• Category: Other Products
• Molecular Weight: 228.31
• Molecular Formula: C13H12N2S
• Synonyms: 1,3-Diphenyl-2-thiourea
• IUPAC Name: 1,3-Diphenylthiourea
• SMILES: C1=CC=C(C=C1)NC(=S)NC2=CC=CC=C2
• InChI: InChI=1S/C13H12N2S/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,(H2,14,15,16)
• InChI Key: FCSHMCFRCYZTRQ-UHFFFAOYSA-N
• Boiling Point: 50 °C
• Melting Point: 152-155 °C
• Density: 1.32 g/cm3
• Complexity: 196
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Exact Mass: 228.07211956
• Formal Charge: 0
• Heavy Atom Count: 16
• Hydrogen Bond Acceptor Count: 1
• Hydrogen Bond Donor Count: 2
• Isotope Atom Count: 0
• Monoisotopic Mass: 228.07211956
• Physical State: White powder
• Rotatable Bond Count: 2
• Topological Polar Surface Area: 56.2 Ų
• Undefined Atom Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0

Synthetic Use

Downstream Synthesis Route 1

• 102-08-9
• 17412-11-2

• 59648-14-5
• 16005-58-6
• 60206-59-9

Reference: [1] Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1984, # 11, p. 2491 - 2495

Downstream Synthesis Route 2

• 108-30-5
• 102-08-9

• 102-14-7

Reference: [1]Dunlap
[American Chemical Journal, 1899, vol. 21, p. 529]

Downstream Synthesis Route 3

• 108-30-5
• 102-08-9

• 102-14-7
• 103-72-0

Reference: [1]Dunlap
[American Chemical Journal, 1899, vol. 21, p. 529]

Downstream Synthesis Route 4

• 106-49-0
• 102-08-9

• 92-36-4

Reference: [1],1924,p. 400
Chemisches Zentralblatt,1925,vol. 96,p. 2307

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