2-Phenylbenzothiazole

• CAS: 883-93-2
• Catalog Number: ACM883932-1
• Category: Other Products
• Molecular Weight: 211.28
• Molecular Formula: C13H9NS
• Synonyms: 2-Phenyl-1,3-benzothiazole
• IUPAC Name: 2-phenyl-1,3-benzothiazole
• Canonical SMILES: C1=CC=C(C=C1)C2=NC3=CC=CC=C3S2
• InChI: XBHOUXSGHYZCNH-UHFFFAOYSA-N
• InChI Key: InChI=1S/C13H9NS/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13/h1-9H
• Boiling Point: 371 °C
• Melting Point: 111-113 °C -lit.
• Appearance: Grey needle-like crystals
• Storage: Store below +30°C.
• Complexity: 213
• Covalently-Bonded Unit Count: 1
• EC Number: 212-935-3
• Exact Mass: 211.04557046
• H-Bond Acceptor: 2
• Heavy Atom Count: 15
• Hydrogen Bond Acceptor Count: 2
• Hydrogen Bond Donor Count: 0
• Monoisotopic Mass: 211.04557046
• NSC Number: 2034
• Octanol Water Partition Coefficient: 4.26 (LogP)
• Rotatable Bond Count: 1
• Topological Polar Surface Area: 41.1 Ų
• UNII: FO573G4BGT

Custom Q&A

What is the CAS number of 2-Phenylbenzothiazole?

The CAS number of 2-Phenylbenzothiazole is 883-93-2.

What is the molecular weight of 2-Phenylbenzothiazole?

The molecular weight of 2-Phenylbenzothiazole is 211.28.

What are the product categories that 2-Phenylbenzothiazole belongs to?

2-Phenylbenzothiazole belongs to the product categories of Thiazoles, BENZOTHIAZOLE, API intermediates, Building Blocks, and Heterocyclic Building Blocks.

What is another name for 2-Phenylbenzothiazole?

Another name for 2-Phenylbenzothiazole is 2-Phenyl-1,3-benzothiazole.

What is the melting point of 2-Phenylbenzothiazole?

The melting point of 2-Phenylbenzothiazole is 111-113 °C.

Is 2-Phenylbenzothiazole soluble in water?

No, 2-Phenylbenzothiazole is insoluble in water.

What is the boiling point of 2-Phenylbenzothiazole?

The boiling point of 2-Phenylbenzothiazole is 371 °C.

What is the color of 2-Phenylbenzothiazole?

The color of 2-Phenylbenzothiazole is white to off-white.

What are the safety statements associated with 2-Phenylbenzothiazole?

The safety statements associated with 2-Phenylbenzothiazole are 24/25-26.

What are some of the uses of 2-Phenylbenzothiazole?

2-Phenylbenzothiazole is an organic compound that was detected in water and sediment from sedimentation ponds as a contaminant.

Synthetic Use

Upstream Synthesis Route 1

• 1493-27-2
• 100-46-9

• 883-93-2
• 5729-06-6

Reference: [1] Angewandte Chemie - International Edition, 2014, vol. 53, # 50, p. 13808 - 13812[2] Angew. Chem., 2014, vol. 126, # 50, p. 14028 - 14032,5

Upstream Synthesis Route 2

• 538-51-2

• 883-93-2

Reference: [1]Zhang, Jie; Zhao, Xin; Liu, Ping; Sun, Peipei
[Journal of Organic Chemistry, 2019, vol. 84, # 19, p. 12596 - 12605]
[2]Imoto, Mitsutaka; Mizuno, Takumi; Nomoto, Akihiro; Ogawa, Akiya; Takeda, Motonori; Teramoto, Masahiro
[Synlett, 2022, vol. 33, # 4, p. 386 - 390]
[3]Current Patent Assignee: Bayer & Co. - DE51172
[Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 2, p. 301][Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 2, p. 301]
Bogert; Abrahamson
[Journal of the American Chemical Society, 1922, vol. 44, p. 834]
Hunter
[Journal of the Chemical Society, 1926, p. 539][Chemisches Zentralblatt, 1925, vol. 96, # II, p. 400]
[4]Prot,T.; Parol,J.
[Roczniki Chemii, 1971, vol. 45, p. 1301 - 1313]

Downstream Synthesis Route 1

• 883-93-2

• 38338-23-7

Reference: [1]Current Patent Assignee: ROTTAPHARM BIOTECH S.R.L. - EP1571142, 2005, A1
Location in patent: Page/Page column 20
[2]Current Patent Assignee: ROTTAPHARM BIOTECH S.R.L. - US2005/197331, 2005, A1
Location in patent: Page/Page column 14
[3]Naegeli
[Bulletin de la Societe Chimique de France, 1894, vol. <3> 11, p. 894]
Hofmann,A. W.
[Chemische Berichte, 1880, vol. 13, p. 1228][Chemische Berichte, 1887, vol. 20, p. 2252]
[4]Fries
[Justus Liebigs Annalen der Chemie, 1927, vol. 454, p. 306]
Bogert; Abrahamson
[Journal of the American Chemical Society, 1922, vol. 44, p. 834]
Bogert; Corbitt
[Journal of the American Chemical Society, 1926, vol. 48, p. 785]

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