Pentafluorophenyl 2-thiomorpholin-4-ylpyridine-4-carboxylate

CAS
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CAS
934570-42-0
Size
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Purity
96%
Price
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Availability
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Catalog Number

ACM934570420

Product Name

Pentafluorophenyl 2-thiomorpholin-4-ylpyridine-4-carboxylate

Structure

Structure

CAS

934570-42-0

Category

Heterocyclic Organic Compound

Synonyms

Pentafluorophenyl 2-thiomorpholin-4-ylisonicotinate

IUPAC Name

(2,3,4,5,6-pentafluorophenyl) 2-thiomorpholin-4-ylpyridine-4-carboxylate

Molecular Weight

390.328

Molecular Formula

C₁₆H₁₁F₅N₂O₂S

Canonical SMILES

C1CSCCN1C2=NC=CC(=C2)C(=O)OC3=C(C(=C(C(=C3F)F)F)F)F

InChI Key

CXWZKWSFJLNFMF-UHFFFAOYSA-N

Boiling Point

553.7ºC at 760 mmHg

Melting Point

99ºC

Flash Point

288.7ºC

Density

1.507g/cm³

Exact Mass

390.04600

H-Bond Acceptor

10

H-Bond Donor

0

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of Pentafluorophenyl 2-thiomorpholin-4-ylpyridine-4-carboxylate?

The molecular formula is C16H11F5N2O2S.

When was Pentafluorophenyl 2-thiomorpholin-4-ylpyridine-4-carboxylate created?

It was created on 2008-02-29.

What is the InChI of Pentafluorophenyl 2-thiomorpholin-4-ylpyridine-4-carboxylate?

The InChI is InChI=1S/C16H11F5N2O2S/c17-10-11(18)13(20)15(14(21)12(10)19)25-16(24)8-1-2-22-9(7-8)23-3-5-26-6-4-23/h1-2,7H,3-6H2.

What is the CAS number of Pentafluorophenyl 2-thiomorpholin-4-ylpyridine-4-carboxylate?

The CAS number is 934570-42-0.

What is the XLogP3-AA value of Pentafluorophenyl 2-thiomorpholin-4-ylpyridine-4-carboxylate?

The XLogP3-AA value is 3.6.

How many hydrogen bond acceptors does Pentafluorophenyl 2-thiomorpholin-4-ylpyridine-4-carboxylate have?

It has 10 hydrogen bond acceptors.

What is the exact mass of Pentafluorophenyl 2-thiomorpholin-4-ylpyridine-4-carboxylate?

The exact mass is 390.04613958 g/mol.

How many rotatable bond counts does Pentafluorophenyl 2-thiomorpholin-4-ylpyridine-4-carboxylate have?

It has 4 rotatable bond counts.

What is the complexity value of Pentafluorophenyl 2-thiomorpholin-4-ylpyridine-4-carboxylate?

The complexity value is 483.

Is Pentafluorophenyl 2-thiomorpholin-4-ylpyridine-4-carboxylate considered as a canonicalized compound?

Yes, it is considered as a canonicalized compound.

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