CS-0572515

1-Methyl-3-(4-sulfobutyl)-1H-imidazol-3-ium methanesulfonate

Manufacturer: ChemScene

CAS Number: 1220982-88-6

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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

C₉H₁₈N₂O₆S₂

Molecular Weight

314.38

Synonyms

None

SMILES

CN1C=[N+](CCCCS(O)(=O)=O)C=C1.CS([O-])(=O)=O

Tpsa

120.38

Logp

-0.858

H Acceptors

6

H Donors

1

Rotatable Bonds

5

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-0572515

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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:
C₉H₁₈N₂O₆S₂

Molecular Weight:
314.38

Synonyms:
None

SMILES:
CN1C=[N+](CCCCS(O)(=O)=O)C=C1.CS([O-])(=O)=O

Tpsa:
120.38

Logp:
-0.858

H Acceptors:
6

H Donors:
1

Rotatable Bonds:
5

Img

ChemScene

CS-0572516

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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:
C₁₅H₂₂N₂O₆S₂

Molecular Weight:
390.47

Synonyms:
1-Sulfobutyl-3-methylimidazolium p-Toluenesulfonate

SMILES:
CN1C=[N+](CCCCS(O)(=O)=O)C=C1.[O-]S(C2=CC=C(C)C=C2)(=O)=O

Tpsa:
120.38

Logp:
0.87972

H Acceptors:
6

H Donors:
1

Rotatable Bonds:
6

Img

ChemScene

CS-0572525

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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:
C₂₄H₂₃N₃O₃

Molecular Weight:
401.46

Synonyms:
None

SMILES:
CC(NC1=CC=C2CN3C(COC2=C1)=CC(C4=CC=CC=C4C#CCCCO)=N3)=O

Tpsa:
76.38

Logp:
3.5732

H Acceptors:
5

H Donors:
2

Rotatable Bonds:
4

Img

ChemScene

CS-0572526

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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:
C₈H₁₀ClN

Molecular Weight:
155.62

Synonyms:
2-chloro-3-propan-2-ylpyridine

SMILES:
CC(C1=CC=CN=C1Cl)C

Tpsa:
12.89

Logp:
2.8584

H Acceptors:
1

H Donors:
0

Rotatable Bonds:
1