CAS
94088-68-3 Purity
96%
94088-68-3 Purity
96%
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4-Thiazoleethanethioicacid,2-amino-a-(methoxyimino)-,s-2-benzothiazolyl ester
CAS
94088-75-2
Catalog Number
ACM94088752
Category
Other Products
Molecular Weight
350.4391
Molecular Formula
C13H10N4O2S3
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Specification
Synonyms
S-benzothiazol-2-yl 2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)thioacetate;2-AMINO-ALPHA-(METHOXYIMINO)-4-THIAZOLEETHANETHIOIC ACID-S-2-BENZOTHIAZOLYLESTER;4-THIAZOLEETHANETHIOICACID,;2-amino-α-(methoxyimino)-S-2-benzothiazolylester;(2-Aminothiazol-4-y
Density
1.63g/cm³
What is the molecular formula of 4-Thiazoleethanethioicacid, 2-amino-a-(methoxyimino)-,s-2-benzothiazolyl ester?
The molecular formula is C13H10N4O2S3.
When was the structure of 4-Thiazoleethanethioicacid, 2-amino-a-(methoxyimino)-,s-2-benzothiazolyl ester created?
The structure was created on August 9, 2005.
What is the IUPAC name of 4-Thiazoleethanethioicacid, 2-amino-a-(methoxyimino)-,s-2-benzothiazolyl ester?
The IUPAC name is S-(1,3-benzothiazol-2-yl) (2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoethanethioate.
What is the InChI of 4-Thiazoleethanethioicacid, 2-amino-a-(methoxyimino)-,s-2-benzothiazolyl ester?
The InChI is InChI=1S/C13H10N4O2S3/c1-19-17-10(8-6-20-12(14)15-8)11(18)22-13-16-7-4-2-3-5-9(7)21-13/h2-6H,1H3,(H2,14,15)/b17-10+.
What is the Canonical SMILES of 4-Thiazoleethanethioicacid, 2-amino-a-(methoxyimino)-,s-2-benzothiazolyl ester?
The Canonical SMILES is CON=C(C1=CSC(=N1)N)C(=O)SC2=NC3=CC=CC=C3S2.
What is the molecular weight of 4-Thiazoleethanethioicacid, 2-amino-a-(methoxyimino)-,s-2-benzothiazolyl ester?
The molecular weight is 350.4 g/mol.
How many hydrogen bond acceptor counts does 4-Thiazoleethanethioicacid, 2-amino-a-(methoxyimino)-,s-2-benzothiazolyl ester have?
It has 9 hydrogen bond acceptor counts.
What is the XLogP3-AA value for 4-Thiazoleethanethioicacid, 2-amino-a-(methoxyimino)-,s-2-benzothiazolyl ester?
The XLogP3-AA value is 4.1.
What is the topological polar surface area of 4-Thiazoleethanethioicacid, 2-amino-a-(methoxyimino)-,s-2-benzothiazolyl ester?
The topological polar surface area is 172?2.
How many rotatable bond counts does 4-Thiazoleethanethioicacid, 2-amino-a-(methoxyimino)-,s-2-benzothiazolyl ester have?
It has 5 rotatable bond counts.
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