CS-0358242
2-(((3,3-Dimethyl-3,4-dihydroisoquinolin-1-yl)methyl)thio)benzoic acid
Manufacturer: ChemScene
CAS Number: 332358-90-4
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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
C₁₉H₁₉NO₂S
Molecular Weight
325.42
Synonyms
2-(3,3-Dimethyl-3,4-dihydro-isoquinolin-1-ylmethylsulfanyl)-benzoic acid
SMILES
CC1(C)CC2=CC=CC=C2C(=N1)CSC3=CC=CC=C3C(=O)O
Tpsa
49.66
Logp
4.3009
H Acceptors
3
H Donors
1
Rotatable Bonds
4
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 332358-90-4 | 2-(3,3-Dimethyl-3,4-dihydro-isoquinolin-1-ylmethylsulfanyl)-benzoic acid | A2B Chem | -- |
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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: C₁₉H₁₉NO₂S
Molecular Weight: 325.42
Synonyms: 2-(3,3-Dimethyl-3,4-dihydro-isoquinolin-1-ylmethylsulfanyl)-benzoic acid
SMILES: CC1(C)CC2=CC=CC=C2C(=N1)CSC3=CC=CC=C3C(=O)O
Tpsa: 49.66
Logp: 4.3009
H Acceptors: 3
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:
C₁₉H₁₉NO₂S
Molecular Weight:
325.42
Synonyms:
2-(3,3-Dimethyl-3,4-dihydro-isoquinolin-1-ylmethylsulfanyl)-benzoic acid
SMILES:
CC1(C)CC2=CC=CC=C2C(=N1)CSC3=CC=CC=C3C(=O)O
Tpsa:
49.66
Logp:
4.3009
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
4
Purity: 90%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₁Cl₂NO₂
Molecular Weight: 284.14
Synonyms: 2-{[(3,4-Dichlorophenyl)amino]methylene}-1,3-cyclohexanedione
SMILES: O=C1C(C(CCC1)=O)=CNC2=CC=C(Cl)C(Cl)=C2
Tpsa: 46.17
Logp: 3.6113
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 2
Purity:
90%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₁Cl₂NO₂
Molecular Weight:
284.14
Synonyms:
2-{[(3,4-Dichlorophenyl)amino]methylene}-1,3-cyclohexanedione
SMILES:
O=C1C(C(CCC1)=O)=CNC2=CC=C(Cl)C(Cl)=C2
Tpsa:
46.17
Logp:
3.6113
H Acceptors:
3
H Donors:
1
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: C₁₅H₁₅F₂NO₂
Molecular Weight: 279.28
Synonyms: None
SMILES: OC1=C(OCC)C=CC=C1CNC2=CC=C(F)C(F)=C2
Tpsa: 41.49
Logp: 3.6812
H Acceptors: 3
H Donors: 2
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:
C₁₅H₁₅F₂NO₂
Molecular Weight:
279.28
Synonyms:
None
SMILES:
OC1=C(OCC)C=CC=C1CNC2=CC=C(F)C(F)=C2
Tpsa:
41.49
Logp:
3.6812
H Acceptors:
3
H Donors:
2
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: C₁₄H₁₃BrClNO
Molecular Weight: 326.62
Synonyms: None
SMILES: OC1=CC=C(Cl)C=C1CNCC2=CC=CC(Br)=C2
Tpsa: 32.26
Logp: 4.0979
H Acceptors: 2
H Donors: 2
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:
C₁₄H₁₃BrClNO
Molecular Weight:
326.62
Synonyms:
None
SMILES:
OC1=CC=C(Cl)C=C1CNCC2=CC=CC(Br)=C2
Tpsa:
32.26
Logp:
4.0979
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
4