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Structure

1H-1,2,3-Triazole-4-carboxamide,5-mercapto-

CAS
99417-89-7
Catalog Number
ACM99417897
Category
Other Products
Molecular Weight
144.15506
Molecular Formula
C3H4N4OS

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Specification

Synonyms
1H-1,2,3-Triazole-4-carboxamide,5-mercapto-;1H-1,2,3-Triazole-4-carboxamide,5-mercapto-(9CI)
What is the molecular formula of 1H-1,2,3-Triazole-4-carboxamide,5-mercapto?

The molecular formula is C3H4N4OS.

When was 1H-1,2,3-Triazole-4-carboxamide,5-mercapto created and modified in PubChem?

It was created on 2005-07-10 and modified on 2023-12-30.

What is the molecular weight of 1H-1,2,3-Triazole-4-carboxamide,5-mercapto?

The molecular weight is 144.16 g/mol.

What is the IUPAC name of 1H-1,2,3-Triazole-4-carboxamide,5-mercapto?

The IUPAC name is 5-sulfanylidene-1,2-dihydrotriazole-4-carboxamide.

What is the InChI of 1H-1,2,3-Triazole-4-carboxamide,5-mercapto?

The InChI is InChI=1S/C3H4N4OS/c4-2(8)1-3(9)6-7-5-1/h(H2,4,8)(H2,5,6,7,9).

What is the InChIKey of 1H-1,2,3-Triazole-4-carboxamide,5-mercapto?

The InChIKey is AZMSMQZKBRVUHB-UHFFFAOYSA-N.

What is the canonical SMILES of 1H-1,2,3-Triazole-4-carboxamide,5-mercapto?

The canonical SMILES is C1(=NNNC1=S)C(=O)N.

What is the XLogP3-AA value of 1H-1,2,3-Triazole-4-carboxamide,5-mercapto?

The XLogP3-AA value is -0.3.

How many hydrogen bond donor counts does 1H-1,2,3-Triazole-4-carboxamide,5-mercapto have?

It has 3 hydrogen bond donor counts.

Is the compound canonicalized in PubChem?

Yes, the compound is canonicalized in PubChem.

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