CS-0586725
2-((2-(Pyrrolidin-1-yl)ethyl)thio)nicotinic acid
Manufacturer: ChemScene
CAS Number: 1042779-48-5
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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
C₁₂H₁₆N₂O₂S
Molecular Weight
252.33
Synonyms
None
SMILES
C1CCN(C1)CCSC2=C(C=CC=N2)C(=O)O
Tpsa
53.43
Logp
1.9677
H Acceptors
4
H Donors
1
Rotatable Bonds
5
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 1042779-48-5 | 2-[(2-Pyrrolidin-1-ylethyl)thio]nicotinic acid | 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: C₁₂H₁₆N₂O₂S
Molecular Weight: 252.33
Synonyms: None
SMILES: C1CCN(C1)CCSC2=C(C=CC=N2)C(=O)O
Tpsa: 53.43
Logp: 1.9677
H Acceptors: 4
H Donors: 1
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:
C₁₂H₁₆N₂O₂S
Molecular Weight:
252.33
Synonyms:
None
SMILES:
C1CCN(C1)CCSC2=C(C=CC=N2)C(=O)O
Tpsa:
53.43
Logp:
1.9677
H Acceptors:
4
H Donors:
1
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: C₁₀H₁₃BrN₂S
Molecular Weight: 273.19
Synonyms: None
SMILES: C1CSCCN1C2=C(C=C(C=C2)Br)N
Tpsa: 29.26
Logp: 2.5845
H Acceptors: 3
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:
C₁₀H₁₃BrN₂S
Molecular Weight:
273.19
Synonyms:
None
SMILES:
C1CSCCN1C2=C(C=C(C=C2)Br)N
Tpsa:
29.26
Logp:
2.5845
H Acceptors:
3
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: C₁₂H₁₄O₅
Molecular Weight: 238.24
Synonyms: Benzoic acid, 6-formyl-2,3-dimethoxy-, ethyl ester
SMILES: CCOC(=O)C1=C(C=CC(=C1OC)OC)C=O
Tpsa: 61.83
Logp: 1.693
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:
C₁₂H₁₄O₅
Molecular Weight:
238.24
Synonyms:
Benzoic acid, 6-formyl-2,3-dimethoxy-, ethyl ester
SMILES:
CCOC(=O)C1=C(C=CC(=C1OC)OC)C=O
Tpsa:
61.83
Logp:
1.693
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: C₉H₁₉N₃O₂S
Molecular Weight: 233.33
Synonyms: None
SMILES: C1CCN(C1)S(=O)(=O)N2CCC(CC2)N
Tpsa: 66.64
Logp: -0.2499
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:
C₉H₁₉N₃O₂S
Molecular Weight:
233.33
Synonyms:
None
SMILES:
C1CCN(C1)S(=O)(=O)N2CCC(CC2)N
Tpsa:
66.64
Logp:
-0.2499
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
2