2-Amino-benzothiazol-6-ol

• CAS: 26278-79-5
• Catalog Number: ACM26278795
• Category: Other Products
• Molecular Weight: 166.2
• Molecular Formula: C₇H₆N₂OS
• Synonyms: 2-AMINO-1,3-BENZOTHIAZOL-6-OL;2-AMINO-BENZOTHIAZOL-6-OL;2-AMINO-BENZOTHIAZOLE-6-OL;2-AMINOBENZO[D]THIAZOL-6-OL;2-AMINO-6-HYDROXYBENZOTHIAZOLE;ASISCHEM X25426;VITAS-BB TBB000062;2-amino-6-hydroxy-benzothiazol
• Melting Point: 243-250°C
• Hazard Statements: Xn
• Safety Description: 26-36/37/39
• Supplemental Hazard Statements: H302-H302+H312+H332-H319
• Symbol: GHS07

Custom Q&A

What is the molecular formula of 2-Amino-benzothiazol-6-ol?

The molecular formula is C7H6N2OS.

What is the IUPAC name of 2-Amino-benzothiazol-6-ol?

The IUPAC name is 2-amino-1,3-benzothiazol-6-ol.

What is the InChI of 2-Amino-benzothiazol-6-ol?

The InChI is InChI=1S/C7H6N2OS/c8-7-9-5-2-1-4(10)3-6(5)11-7/h1-3,10H,(H2,8,9).

What is the InChIKey of 2-Amino-benzothiazol-6-ol?

The InChIKey is VLNVTNUTGNBNBY-UHFFFAOYSA-N.

What is the Canonical SMILES of 2-Amino-benzothiazol-6-ol?

The Canonical SMILES is C1=CC2=C(C=C1O)SC(=N2)N.

What is the molecular weight of 2-Amino-benzothiazol-6-ol?

The molecular weight is 166.20 g/mol.

What is the CAS number of 2-Amino-benzothiazol-6-ol?

The CAS number is 26278-79-5.

How many hydrogen bond donor counts does 2-Amino-benzothiazol-6-ol have?

It has 2 hydrogen bond donor counts.

What is the XLogP3 value of 2-Amino-benzothiazol-6-ol?

The XLogP3 value is 1.9.

Is 2-Amino-benzothiazol-6-ol a canonicalized compound?

Yes, it is a canonicalized compound according to PubChem.

Synthetic Use

Upstream Synthesis Route 1

• 1520-27-0

• 26278-79-5

Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2017, vol. 27, # 15, p. 3460 - 3463
[2] Medicinal Chemistry Research, 2012, vol. 21, # 7, p. 1136 - 1148
[3] Journal of Medicinal Chemistry, 2016, vol. 59, # 21, p. 9814 - 9824

Upstream Synthesis Route 2

• 1753-90-8

• 26278-79-5

Reference: [1] Patent: WO2017/218960, 2017, A1, . Location in patent: Paragraph 00456

Upstream Synthesis Route 3

• 1747-60-0

• 26278-79-5

Reference: [1] Patent: WO2010/54058, 2010, A1, . Location in patent: Page/Page column 73-75

Upstream Synthesis Route 4

• 1747-60-0

• 26278-79-5

Reference: [1]Patent: WO2010/54058,2010,A1 .Location in patent: Page/Page column 73-75

Downstream Synthesis Route 1

• 26278-79-5
• 27475-19-0

• 99582-94-2

Reference: [1]Journal of Medicinal Chemistry,1986,vol. 29,p. 386 - 394

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