CAS
9074-98-0 Purity
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9074-98-0 Purity
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![Poly[(6-morpholino-1,3,5-triazine-2,4-diyl)-((2,2,6,6-tetramethyl-4-piperidyl)imino)hexamethylene-((2,2,6,6-tetramethyl-4-piperidyl)imino)]](https://resource.alfa-chemistry.com/structure/90751-07-8.gif)
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2-(methylthio)-1,3-thiazole-4-carboxylic acid
CAS
907543-75-3
Catalog Number
ACM907543753
Category
Other Products
Molecular Weight
175.23
Molecular Formula
C5H5NO2S2
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Specification
Synonyms
2-(methylthio)-1,3-thiazole-4-carboxylic acid, SBB046415, 2-(methylsulfanyl)-1,3-thiazole-4-carboxylic acid, 907543-75-3, SureCN3114211, CTK5G8372, MolPort-006-067-256, ALBB-005842, STK503562, AKOS005168980, AG-H-72422, MCULE-2997478155, 2-(methylthio)thiazole-4-carboxylic acid, KB-94687, 2-Methylsulfanyl-thiazole-4-carboxylic acid, KB-224227, BB 0240310, 2-methylthio-1,3-thiazole-4-carboxylic acid
IUPAC Name
2-methylsulfanyl-1,3-thiazole-4-carboxylic acid
Canonical SMILES
CSC1=NC(=CS1)C(=O)O
InChI Key
KTXGEQDZJYTMBM-UHFFFAOYSA-N
Boiling Point
379.4ºC at 760 mmHg
Flash Point
183.2ºC
Density
1.53g/cm³
Exact Mass
174.97600
H-Bond Acceptor
5
H-Bond Donor
1
What is the molecular formula of 2-(methylthio)-1,3-thiazole-4-carboxylic acid?
The molecular formula of 2-(methylthio)-1,3-thiazole-4-carboxylic acid is C5H5NO2S2.
What is the molecular weight of 2-(methylthio)-1,3-thiazole-4-carboxylic acid?
The molecular weight of 2-(methylthio)-1,3-thiazole-4-carboxylic acid is 175.2 g/mol.
What is the IUPAC name of 2-(methylthio)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(methylthio)-1,3-thiazole-4-carboxylic acid is 2-methylsulfanyl-1,3-thiazole-4-carboxylic acid.
What is the InChI of 2-(methylthio)-1,3-thiazole-4-carboxylic acid?
The InChI of 2-(methylthio)-1,3-thiazole-4-carboxylic acid is InChI=1S/C5H5NO2S2/c1-9-5-6-3(2-10-5)4(7)8/h2H,1H3,(H,7,8).
What is the InChIKey of 2-(methylthio)-1,3-thiazole-4-carboxylic acid?
The InChIKey of 2-(methylthio)-1,3-thiazole-4-carboxylic acid is KTXGEQDZJYTMBM-UHFFFAOYSA-N.
What is the Canonical SMILES of 2-(methylthio)-1,3-thiazole-4-carboxylic acid?
The Canonical SMILES of 2-(methylthio)-1,3-thiazole-4-carboxylic acid is CSC1=NC(=CS1)C(=O)O.
How many hydrogen bond donor counts does 2-(methylthio)-1,3-thiazole-4-carboxylic acid have?
2-(methylthio)-1,3-thiazole-4-carboxylic acid has 1 hydrogen bond donor count.
What is the topological polar surface area of 2-(methylthio)-1,3-thiazole-4-carboxylic acid?
The topological polar surface area of 2-(methylthio)-1,3-thiazole-4-carboxylic acid is 104Ų.
How many rotatable bond counts does 2-(methylthio)-1,3-thiazole-4-carboxylic acid have?
2-(methylthio)-1,3-thiazole-4-carboxylic acid has 2 rotatable bond counts.
Is the compound canonicalized for 2-(methylthio)-1,3-thiazole-4-carboxylic acid?
Yes, the compound is canonicalized for 2-(methylthio)-1,3-thiazole-4-carboxylic acid.
Upstream Synthesis Route 1
- 40279-32-1
- 907543-75-3
Reference: [1]Current Patent Assignee: ASTRAZENECA PLC - WO2006/87543, 2006, A1
Location in patent: Page/Page column 80
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