CS-0339319

Ethyl 2-acetamido-6,6-dibromo-7-oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate

Manufacturer: ChemScene

CAS Number: 113407-90-2

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Purity

98%

MDL No

None

Storage

Sealed in dry,2-8℃

Shipping

Room temperature in continental US; may vary elsewhere.

Molecular Formula

C₁₃H₁₃Br₂NO₄S

Molecular Weight

439.12

Synonyms

Benzo[b]thiophene-3-carboxylic acid, 2-(acetylamino)-6,6-dibromo-4,5,6,7-tetrahydro-7-oxo-, ethyl ester

SMILES

O=C(C1=C(NC(C)=O)SC2=C1CCC(Br)(Br)C2=O)OCC

Tpsa

72.47

Logp

3.4982

H Acceptors

5

H Donors

1

Rotatable Bonds

3

Other Options

Image Product Name Manufacturer Price Range
BA29107
113407-90-2 | ethyl 2-(acetylamino)-6,6-dibromo-7-oxo-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
A2B Chem --

SAFETY INFORMATION

Pictograms

N/A

Signal Word

N/A

UN Number

N/A

Class

N/A

Packing Group

N/A

Hazard Statements

N/A

Precautionary Statements

N/A

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ChemScene

CS-0339319

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Purity:
98%

MDL No:
None

Storage:
Sealed in dry,2-8℃

Shipping:
Room temperature in continental US; may vary elsewhere.

Molecular Formula:
C₁₃H₁₃Br₂NO₄S

Molecular Weight:
439.12

Synonyms:
Benzo[b]thiophene-3-carboxylic acid, 2-(acetylamino)-6,6-dibromo-4,5,6,7-tetrahydro-7-oxo-, ethyl ester

SMILES:
O=C(C1=C(NC(C)=O)SC2=C1CCC(Br)(Br)C2=O)OCC

Tpsa:
72.47

Logp:
3.4982

H Acceptors:
5

H Donors:
1

Rotatable Bonds:
3

Img

ChemScene

CS-0339320

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Purity:
95+%

MDL No:
None

Storage:
Sealed in dry,2-8℃

Shipping:
Room temperature in continental US; may vary elsewhere.

Molecular Formula:
C₁₁H₈O₃

Molecular Weight:
188.18

Synonyms:
2-Acetyl-1,3-Indanedione

SMILES:
CC(=O)C1C(=O)C2=CC=CC=C2C1=O

Tpsa:
51.21

Logp:
1.2708

H Acceptors:
3

H Donors:
0

Rotatable Bonds:
1

Img

ChemScene

CS-0339321

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Purity:
98%

MDL No:
None

Storage:
Sealed in dry,2-8℃

Shipping:
Room temperature in continental US; may vary elsewhere.

Molecular Formula:
C₁₄H₁₅ClN₂

Molecular Weight:
246.74

Synonyms:
2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)ethanamine

SMILES:
C1=C(C=CC(=C1)Cl)CCNCC2=CC=NC=C2

Tpsa:
24.92

Logp:
3.0673

H Acceptors:
2

H Donors:
1

Rotatable Bonds:
5

Img

ChemScene

CS-0339322

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Purity:
98%

MDL No:
None

Storage:
Sealed in dry,2-8℃

Shipping:
Room temperature in continental US; may vary elsewhere.

Molecular Formula:
C₁₄H₁₅ClN₂

Molecular Weight:
246.74

Synonyms:
2-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)ethanamine

SMILES:
C1=CC(=CN=C1)CNCCC2=CC=C(C=C2)Cl

Tpsa:
24.92

Logp:
3.0673

H Acceptors:
2

H Donors:
1

Rotatable Bonds:
5