CS-0545887
3-(2-Methylbenzo[d]thiazol-3-ium-3-yl)propane-1-sulfonate
Manufacturer: ChemScene
CAS Number: 56405-37-9
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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
C₁₁H₁₃NO₃S₂
Molecular Weight
271.36
Synonyms
Benzothiazolium, 2-methyl-3-(3-sulfopropyl)-, inner salt
SMILES
CC1=[N+](C2=CC=CC=C2S1)CCCS(=O)(=O)[O-]
Tpsa
61.08
Logp
1.43252
H Acceptors
4
H Donors
0
Rotatable Bonds
4
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 56405-37-9 | 2-Methyl-3-sulfopropyl benzothiazolium inner salt | A2B Chem | -- |
SAFETY INFORMATION
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362-P403+P233-P405-P501
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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: C₁₁H₁₃NO₃S₂
Molecular Weight: 271.36
Synonyms: Benzothiazolium, 2-methyl-3-(3-sulfopropyl)-, inner salt
SMILES: CC1=[N+](C2=CC=CC=C2S1)CCCS(=O)(=O)[O-]
Tpsa: 61.08
Logp: 1.43252
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₃NO₃S₂
Molecular Weight:
271.36
Synonyms:
Benzothiazolium, 2-methyl-3-(3-sulfopropyl)-, inner salt
SMILES:
CC1=[N+](C2=CC=CC=C2S1)CCCS(=O)(=O)[O-]
Tpsa:
61.08
Logp:
1.43252
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₇H₁₇NOS
Molecular Weight: 283.39
Synonyms: N-[3-(1-hexynyl)phenyl]-2-thiophenecarboxamide
SMILES: CCCCC#CC1=CC(=CC=C1)NC(=O)C2=CC=CS2
Tpsa: 29.1
Logp: 4.5421
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₇H₁₇NOS
Molecular Weight:
283.39
Synonyms:
N-[3-(1-hexynyl)phenyl]-2-thiophenecarboxamide
SMILES:
CCCCC#CC1=CC(=CC=C1)NC(=O)C2=CC=CS2
Tpsa:
29.1
Logp:
4.5421
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₂NO+
Molecular Weight: 162.21
Synonyms: (E)-1-methyl-4-(3-oxobut-1-en-1-yl)pyridin-1-ium iodide
SMILES: CC(=O)/C=C/C1=CC=[N+](C=C1)C
Tpsa: 20.95
Logp: 1.1133
H Acceptors: 1
H Donors: 0
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₂NO+
Molecular Weight:
162.21
Synonyms:
(E)-1-methyl-4-(3-oxobut-1-en-1-yl)pyridin-1-ium iodide
SMILES:
CC(=O)/C=C/C1=CC=[N+](C=C1)C
Tpsa:
20.95
Logp:
1.1133
H Acceptors:
1
H Donors:
0
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₉NO
Molecular Weight: 169.26
Synonyms: None
SMILES: CNC1CCOC2(C1)CCCC2
Tpsa: 21.26
Logp: 1.6976
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₉NO
Molecular Weight:
169.26
Synonyms:
None
SMILES:
CNC1CCOC2(C1)CCCC2
Tpsa:
21.26
Logp:
1.6976
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
1