CAS
918158-52-8 Purity
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918158-52-8 Purity
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5-Amino-4-methyl-3-phenylisothiazole
CAS
91818-68-7
Catalog Number
ACM91818687
Category
Other Products
Molecular Weight
190.26
Molecular Formula
C10H10N2S
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Specification
Synonyms
5-Amino-4-methyl-3-phenylisothiazole;4-Methyl-3-phenylisothiazol-5-amine
What is the molecular formula of 5-Amino-4-Methyl-3-Phenylisothiazole?
Molecular formula of 5-Amino-4-Methyl-3-Phenylisothiazole is C10H10N2S.
What is the molecular weight of 5-Amino-4-Methyl-3-Phenylisothiazole?
The molecular weight of 5-Amino-4-Methyl-3-Phenylisothiazole is 190.27 g/mol.
What is the IUPAC name of 5-Amino-4-Methyl-3-Phenylisothiazole?
The IUPAC name of 5-Amino-4-Methyl-3-Phenylisothiazole is 4-methyl-3-phenyl-1,2-thiazol-5-amine.
What is the InChIKey of 5-Amino-4-Methyl-3-Phenylisothiazole?
The InChIKey of 5-Amino-4-Methyl-3-Phenylisothiazole is QPVJZNGLJGQLFQ-UHFFFAOYSA-N.
What is the Canonical SMILES of 5-Amino-4-Methyl-3-Phenylisothiazole?
The Canonical SMILES of 5-Amino-4-Methyl-3-Phenylisothiazole is CC1=C(SN=C1C2=CC=CC=C2)N.
What is the CAS number of 5-Amino-4-Methyl-3-Phenylisothiazole?
The CAS number of 5-Amino-4-Methyl-3-Phenylisothiazole is 91818-68-7.
What is the XLogP3-AA value of 5-Amino-4-Methyl-3-Phenylisothiazole?
The XLogP3-AA value of 5-Amino-4-Methyl-3-Phenylisothiazole is 2.7.
How many hydrogen bond acceptors are in 5-Amino-4-Methyl-3-Phenylisothiazole?
There are 3 hydrogen bond acceptors in 5-Amino-4-Methyl-3-Phenylisothiazole.
What is the topological polar surface area of 5-Amino-4-Methyl-3-Phenylisothiazole?
The topological polar surface area of 5-Amino-4-Methyl-3-Phenylisothiazole is 67.2 Å2.
Is 5-Amino-4-Methyl-3-Phenylisothiazole a canonicalized compound?
Yes, 5-Amino-4-Methyl-3-Phenylisothiazole is a canonicalized compound.
Upstream Synthesis Route 1
- 90870-63-6
- 91818-68-7
Reference: [1] Chemische Berichte, 1961, vol. 94, p. 2950 - 2959
Upstream Synthesis Route 2
- 53094-22-7
- 91818-68-7
Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2012, vol. 22, # 7, p. 2514 - 2517
Upstream Synthesis Route 3
- 100-47-0
- 91818-68-7
Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2012, vol. 22, # 7, p. 2514 - 2517
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