2-Thiazolamine,5-(methylthio)-

Name: 2-Thiazolamine,5-(methylthio)-
SKU: ACM99171116
Rating: 5 (1 reviews)

CAS

99171-11-6

Catalog Number

ACM99171116

Category

Other Products

Molecular Formula

C₄H₆N₂S₂

COA MSDS SDS Spec Sheet

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Specification

Synonyms

Thiazole, 2-amino-5-(methylthio)- (6CI);5-(methylthio)thiazol-2-amine;Thiazole, 2-amino-5-(methylthio);2-Thiazolamine, 5-(methylthio)-

What is the molecular formula of 2-Thiazolamine,5-(methylthio)-?

The molecular formula is C4H6N2S2.

When was 2-Thiazolamine,5-(methylthio)- created and modified?

It was created on 2005-03-26 and last modified on 2023-12-30.

What is the IUPAC Name of 2-Thiazolamine,5-(methylthio)-?

The IUPAC Name is 5-methylsulfanyl-1,3-thiazol-2-amine.

What is the Canonical SMILES of 2-Thiazolamine,5-(methylthio)-?

The Canonical SMILES is CSC1=CN=C(S1)N.

What is the CAS number of 2-Thiazolamine,5-(methylthio)-?

The CAS number is 99171-11-6.

What is the molecular weight of 2-Thiazolamine,5-(methylthio)-?

The molecular weight is 146.2 g/mol.

How many hydrogen bond acceptor counts does 2-Thiazolamine,5-(methylthio)- have?

It has 4 hydrogen bond acceptor counts.

What is the topological polar surface area of 2-Thiazolamine,5-(methylthio)-?

The topological polar surface area is 92.4 Å2.

How many formal charges does 2-Thiazolamine,5-(methylthio)- have?

It has 0 formal charges.

Is the compound canonicalized?

Yes, the compound is canonicalized.

Upstream Synthesis Route 1

3034-22-8
5188-07-8

99171-11-6

Reference: [1] Journal of Medicinal Chemistry, 2011, vol. 54, # 12, p. 4119 - 4132
[2] Patent: WO2015/17305, 2015, A1, . Location in patent: Page/Page column 67

Upstream Synthesis Route 2

61296-22-8
5188-07-8

99171-11-6

Reference: [1] Patent: US2009/36467, 2009, A1, . Location in patent: Page/Page column 66; 77

Upstream Synthesis Route 3

1228461-89-9

99171-11-6

Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2010, vol. 20, # 2, p. 594 - 599

Upstream Synthesis Route 4

36016-97-4

99171-11-6

Reference: [1]Journal of Organic Chemistry,1959,vol. 24,p. 187,188, 194

Upstream Synthesis Route 5

96-50-4
624-92-0

99171-11-6

Reference: [1]Bioorganic and Medicinal Chemistry Letters,2004,vol. 14,p. 5521 - 5525

Downstream Synthesis Route 1

99171-11-6
594-42-3
62-53-3

69949-95-7

Reference: [1]Journal of Pharmaceutical Sciences,1979,vol. 68,p. 182 - 185

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

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