3-Nitro-4-pyridinethiol

CAS
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Purity
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CAS
98382-93-5
Size
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Purity
96%
Price
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Availability
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Catalog Number

ACM98382935

Product Name

3-Nitro-4-pyridinethiol

Structure

Structure

CAS

98382-93-5

Category

Heterocyclic Organic Compound

Synonyms

3-nitropyridine-4-thiol, 3-nitro-4-sulfanylpyridine, AJ-333/25006138, AC1LGD8S, 3-nitro-4-Pyridinethiol, 3-nitro-1H-pyridine-4-thione, AC1Q1X21, SCHEMBL7921682, CTK5I4164, WWDZCQQUTFWNQI-UHFFFAOYSA-N, SBB087151, AKOS009233588, DB-080514, EN300-59165, 98382-93-5

IUPAC Name

3-nitro-1H-pyridine-4-thione

Molecular Weight

156.162460 [g/mol]

Molecular Formula

C₅H₄N₂O₂S

Canonical SMILES

C1=CNC=C(C1=S)[N+](=O)[O-]

InChI Key

WWDZCQQUTFWNQI-UHFFFAOYSA-N

Exact Mass

155.99900

H-Bond Acceptor

4

H-Bond Donor

1

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of 3-Nitro-4-pyridinethiol?

The molecular formula of 3-Nitro-4-pyridinethiol is C5H4N2O2S.

What is the synonym for 3-Nitro-4-pyridinethiol?

The synonym for 3-Nitro-4-pyridinethiol is 3-nitropyridine-4-thiol.

What is the molecular weight of 3-Nitro-4-pyridinethiol?

The molecular weight of 3-Nitro-4-pyridinethiol is 156.16 g/mol.

What is the IUPAC name of 3-Nitro-4-pyridinethiol?

The IUPAC name of 3-Nitro-4-pyridinethiol is 3-nitro-1H-pyridine-4-thione.

What is the InChI of 3-Nitro-4-pyridinethiol?

The InChI of 3-Nitro-4-pyridinethiol is InChI=1S/C5H4N2O2S/c8-7(9)4-3-6-2-1-5(4)10/h1-3H,(H,6,10).

What is the InChIKey of 3-Nitro-4-pyridinethiol?

The InChIKey of 3-Nitro-4-pyridinethiol is WWDZCQQUTFWNQI-UHFFFAOYSA-N.

What is the canonical SMILES of 3-Nitro-4-pyridinethiol?

The canonical SMILES of 3-Nitro-4-pyridinethiol is C1=CNC=C(C1=S)[N+](=O)[O-].

What is the XLogP3-AA value of 3-Nitro-4-pyridinethiol?

The XLogP3-AA value of 3-Nitro-4-pyridinethiol is 0.8.

How many hydrogen bond donor counts are there in 3-Nitro-4-pyridinethiol?

There is 1 hydrogen bond donor count in 3-Nitro-4-pyridinethiol.

How many hydrogen bond acceptor counts are there in 3-Nitro-4-pyridinethiol?

There are 4 hydrogen bond acceptor counts in 3-Nitro-4-pyridinethiol.

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