CS-0546326
3-(5-Methoxy-2-methylbenzo[d]thiazol-3-ium-3-yl)propane-1-sulfonate
Manufacturer: ChemScene
CAS Number: 63149-01-9
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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
C₁₂H₁₅NO₄S₂
Molecular Weight
301.38
Synonyms
Benzothiazolium, 5-methoxy-2-methyl-3-(3-sulfopropyl)-, inner salt
SMILES
CC1=[N+](C2=C(S1)C=CC(=C2)OC)CCCS(=O)(=O)[O-]
Tpsa
70.31
Logp
1.44112
H Acceptors
5
H Donors
0
Rotatable Bonds
5
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 63149-01-9 | 5-Methoxy-2-methyl-3-(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+P364-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: C₁₂H₁₅NO₄S₂
Molecular Weight: 301.38
Synonyms: Benzothiazolium, 5-methoxy-2-methyl-3-(3-sulfopropyl)-, inner salt
SMILES: CC1=[N+](C2=C(S1)C=CC(=C2)OC)CCCS(=O)(=O)[O-]
Tpsa: 70.31
Logp: 1.44112
H Acceptors: 5
H Donors: 0
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₅NO₄S₂
Molecular Weight:
301.38
Synonyms:
Benzothiazolium, 5-methoxy-2-methyl-3-(3-sulfopropyl)-, inner salt
SMILES:
CC1=[N+](C2=C(S1)C=CC(=C2)OC)CCCS(=O)(=O)[O-]
Tpsa:
70.31
Logp:
1.44112
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₅H₁₉ClN₂O₂
Molecular Weight: 294.78
Synonyms: (2-Chloro-6-ethoxy-quinolin-3-ylmethyl)-(2-methoxy-ethyl)-amine
SMILES: CCOC1=CC2=CC(=C(N=C2C=C1)Cl)CNCCOC
Tpsa: 43.38
Logp: 3.0229
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₁₉ClN₂O₂
Molecular Weight:
294.78
Synonyms:
(2-Chloro-6-ethoxy-quinolin-3-ylmethyl)-(2-methoxy-ethyl)-amine
SMILES:
CCOC1=CC2=CC(=C(N=C2C=C1)Cl)CNCCOC
Tpsa:
43.38
Logp:
3.0229
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
7
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₁₆Cl₂N₂O₄
Molecular Weight: 371.22
Synonyms: 2-[1-ACETYL-2-(3,4-DICHLOROPHENYL)-5-METHYL-3-OXO-2,3-DIHYDRO-1H-PYRAZOL-4-YL]ETHYL ACETATE
SMILES: CC1=C(C(=O)N(N1C(=O)C)C2=CC(=C(C=C2)Cl)Cl)CCOC(=O)C
Tpsa: 70.3
Logp: 3.01992
H Acceptors: 6
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:
C₁₆H₁₆Cl₂N₂O₄
Molecular Weight:
371.22
Synonyms:
2-[1-ACETYL-2-(3,4-DICHLOROPHENYL)-5-METHYL-3-OXO-2,3-DIHYDRO-1H-PYRAZOL-4-YL]ETHYL ACETATE
SMILES:
CC1=C(C(=O)N(N1C(=O)C)C2=CC(=C(C=C2)Cl)Cl)CCOC(=O)C
Tpsa:
70.3
Logp:
3.01992
H Acceptors:
6
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: C₁₆H₁₄N₂O₃S₂
Molecular Weight: 346.42
Synonyms: (5,6-DIMETHYL-4-OXO-3-PHENYL-3,4-DIHYDRO-THIENO[2,3-D]PYRIMIDIN-2-YLSULFANYL)-ACETIC ACID
SMILES: CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)O)C3=CC=CC=C3)C
Tpsa: 72.19
Logp: 3.24074
H Acceptors: 6
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:
C₁₆H₁₄N₂O₃S₂
Molecular Weight:
346.42
Synonyms:
(5,6-DIMETHYL-4-OXO-3-PHENYL-3,4-DIHYDRO-THIENO[2,3-D]PYRIMIDIN-2-YLSULFANYL)-ACETIC ACID
SMILES:
CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)O)C3=CC=CC=C3)C
Tpsa:
72.19
Logp:
3.24074
H Acceptors:
6
H Donors:
1
Rotatable Bonds:
4