CS-0548932

4-(2-Hydroxyethyl)-1-(mesitylsulfonyl)-2,5-dimethyl-1,2-dihydro-3H-pyrazol-3-one

Manufacturer: ChemScene

CAS Number: 866039-65-8

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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

C₁₆H₂₂N₂O₄S

Molecular Weight

338.42

Synonyms

4-(2-hydroxyethyl)-2,5-dimethyl-1-(2,4,6-trimethylbenzenesulfonyl)-2,3-dihydro-1H-pyrazol-3-one

SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2C(=C(C(=O)N2C)CCO)C)C

Tpsa

81.3

Logp

1.19228

H Acceptors

6

H Donors

1

Rotatable Bonds

4

SAFETY INFORMATION

Pictograms

GHS07

Signal Word

Warning

UN Number

N/A

Class

N/A

Packing Group

N/A

Hazard Statements

H302-H315-H319-H335

Precautionary Statements

P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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ChemScene

CS-0548932

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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:
C₁₆H₂₂N₂O₄S

Molecular Weight:
338.42

Synonyms:
4-(2-hydroxyethyl)-2,5-dimethyl-1-(2,4,6-trimethylbenzenesulfonyl)-2,3-dihydro-1H-pyrazol-3-one

SMILES:
CC1=CC(=C(C(=C1)C)S(=O)(=O)N2C(=C(C(=O)N2C)CCO)C)C

Tpsa:
81.3

Logp:
1.19228

H Acceptors:
6

H Donors:
1

Rotatable Bonds:
4

Img

ChemScene

CS-0548935

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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:
C₁₃H₁₃ClF₃N₃O₄

Molecular Weight:
367.71

Synonyms:
Pentanedioic acid, 3-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]-, 1,5-dimethyl ester

SMILES:
COC(=O)CC(=NNC1=C(C=C(C=N1)C(F)(F)F)Cl)CC(=O)OC

Tpsa:
89.88

Logp:
2.6479

H Acceptors:
7

H Donors:
1

Rotatable Bonds:
6

Img

ChemScene

CS-0548936

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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:
C₁₃H₁₇ClN₂O₄

Molecular Weight:
300.74

Synonyms:
None

SMILES:
CC(C)N1C(C(N(C1=O)C2=CC(=C(C=C2)OC)Cl)O)O

Tpsa:
73.24

Logp:
1.6358

H Acceptors:
4

H Donors:
2

Rotatable Bonds:
3

Img

ChemScene

CS-0548937

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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:
C₈H₃ClF₃N₃S₃

Molecular Weight:
329.77

Synonyms:
None

SMILES:
C1=C(C=NC(=C1Cl)SC2=NNC(=S)S2)C(F)(F)F

Tpsa:
41.57

Logp:
4.41909

H Acceptors:
5

H Donors:
1

Rotatable Bonds:
2