CS-0535158
3-(5-Chloro-2-methylbenzo[d]thiazol-3-ium-3-yl)propane-1-sulfonate
Manufacturer: ChemScene
CAS Number: 65287-04-9
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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
C₁₁H₁₂ClNO₃S₂
Molecular Weight
305.80
Synonyms
3-(5-Chloro-2-methyl-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonate
SMILES
CC1=[N+](C2=C(S1)C=CC(=C2)Cl)CCCS(=O)(=O)[O-]
Tpsa
61.08
Logp
2.08592
H Acceptors
4
H Donors
0
Rotatable Bonds
4
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 65287-04-9 | 5-Chloro-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-P271-P280-P302+P352-P304+P340-P305+P351+P338-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: C₁₁H₁₂ClNO₃S₂
Molecular Weight: 305.80
Synonyms: 3-(5-Chloro-2-methyl-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonate
SMILES: CC1=[N+](C2=C(S1)C=CC(=C2)Cl)CCCS(=O)(=O)[O-]
Tpsa: 61.08
Logp: 2.08592
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:
C₁₁H₁₂ClNO₃S₂
Molecular Weight:
305.80
Synonyms:
3-(5-Chloro-2-methyl-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonate
SMILES:
CC1=[N+](C2=C(S1)C=CC(=C2)Cl)CCCS(=O)(=O)[O-]
Tpsa:
61.08
Logp:
2.08592
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: C₁₆H₁₇O₃P
Molecular Weight: 288.28
Synonyms: 2,4,6-trimethylbenzoylphenylphosphonic acid
SMILES: O=P(C(C1=C(C)C=C(C)C=C1C)=O)(C2=CC=CC=C2)O
Tpsa: 74.6
Logp: 2.64586
H Acceptors: 2
H Donors: 2
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₁₇O₃P
Molecular Weight:
288.28
Synonyms:
2,4,6-trimethylbenzoylphenylphosphonic acid
SMILES:
O=P(C(C1=C(C)C=C(C)C=C1C)=O)(C2=CC=CC=C2)O
Tpsa:
74.6
Logp:
2.64586
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₁₂N₂O₆
Molecular Weight: 304.25
Synonyms: None
SMILES: O=[N+](C1=CC=C(C2=CC=C([N+]([O-])=O)C=C2OC)C(OC)=C1)[O-]
Tpsa: 104.74
Logp: 3.1872
H Acceptors: 6
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:
C₁₄H₁₂N₂O₆
Molecular Weight:
304.25
Synonyms:
None
SMILES:
O=[N+](C1=CC=C(C2=CC=C([N+]([O-])=O)C=C2OC)C(OC)=C1)[O-]
Tpsa:
104.74
Logp:
3.1872
H Acceptors:
6
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: C₁₄H₁₂I₂O₂
Molecular Weight: 466.05
Synonyms: None
SMILES: COC1=CC(I)=CC=C1C2=CC=C(I)C=C2OC
Tpsa: 18.46
Logp: 4.58
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₁₂I₂O₂
Molecular Weight:
466.05
Synonyms:
None
SMILES:
COC1=CC(I)=CC=C1C2=CC=C(I)C=C2OC
Tpsa:
18.46
Logp:
4.58
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
3