Pifithrin-Alpha, P-Nitro

CAS

389850-21-9

Catalog Number

ACM389850219

Category

Main Products

Molecular Weight

398.27

Molecular Formula

C15H16BrN3O3S

MSDS COA Spec Sheet

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Specification

Synonyms

2-(2-imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)-1-(4-nitrophenyl)ethanone;hydrobromide

Appearance

Crystalline solid

What is the molecular formula of p-nitro-Pifithrin-Alpha?

The molecular formula of p-nitro-Pifithrin-Alpha is C15H16BrN3O3S.

What are the synonyms for p-nitro-Pifithrin-Alpha?

The synonyms for p-nitro-Pifithrin-Alpha are: 389850-21-9, p-Nitropifithrin-alpha, and Pifithrin-alpha, p-Nitro.

What is the molecular weight of p-nitro-Pifithrin-Alpha?

The molecular weight of p-nitro-Pifithrin-Alpha is 398.3 g/mol.

When was p-nitro-Pifithrin-Alpha created?

p-nitro-Pifithrin-Alpha was created on October 26, 2006.

What is the IUPAC name of p-nitro-Pifithrin-Alpha?

The IUPAC name of p-nitro-Pifithrin-Alpha is 2-(2-imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)-1-(4-nitrophenyl)ethanone;hydrobromide.

What is the InChI of p-nitro-Pifithrin-Alpha?

The InChI of p-nitro-Pifithrin-Alpha is InChI=1S/C15H15N3O3S.BrH/c16-15-17(12-3-1-2-4-14(12)22-15)9-13(19)10-5-7-11(8-6-10)18(20)21;/h5-8,16H,1-4,9H2;1H.

What is the InChIKey of p-nitro-Pifithrin-Alpha?

The InChIKey of p-nitro-Pifithrin-Alpha is NXPCMOGORSWOLH-UHFFFAOYSA-N.

What is the canonical SMILES of p-nitro-Pifithrin-Alpha?

The canonical SMILES of p-nitro-Pifithrin-Alpha is C1CCC2=C(C1)N(C(=N)S2)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-].Br.

What is the CAS number of p-nitro-Pifithrin-Alpha?

The CAS number of p-nitro-Pifithrin-Alpha is 389850-21-9.

What are the computed properties of p-nitro-Pifithrin-Alpha?

The computed properties of p-nitro-Pifithrin-Alpha include: molecular weight (398.3 g/mol), hydrogen bond donor count (2), hydrogen bond acceptor count (5), rotatable bond count (3), exact mass (397.00958 g/mol), topological polar surface area (115Å²), heavy atom count (23), formal charge (0), complexity (533), isotope atom count (0), defined atom stereocenter count (0), undefined atom stereocenter count (0), defined bond stereocenter count (0), undefined bond stereocenter count (0), and covalently-bonded unit count (1).