CS-0589168
2-(4-Nitrophenyl)-3-(2-oxo-2,3-dihydrothiazol-5-yl)propanoic acid
Manufacturer: ChemScene
CAS Number: 860786-09-0
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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
C₁₂H₁₀N₂O₅S
Molecular Weight
294.28
Synonyms
None
SMILES
C1=CC(=CC=C1C(CC2=CNC(=O)S2)C(=O)O)[N+](=O)[O-]
Tpsa
113.3
Logp
1.7555
H Acceptors
5
H Donors
2
Rotatable Bonds
5
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: C₁₂H₁₀N₂O₅S
Molecular Weight: 294.28
Synonyms: None
SMILES: C1=CC(=CC=C1C(CC2=CNC(=O)S2)C(=O)O)[N+](=O)[O-]
Tpsa: 113.3
Logp: 1.7555
H Acceptors: 5
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:
C₁₂H₁₀N₂O₅S
Molecular Weight:
294.28
Synonyms:
None
SMILES:
C1=CC(=CC=C1C(CC2=CNC(=O)S2)C(=O)O)[N+](=O)[O-]
Tpsa:
113.3
Logp:
1.7555
H Acceptors:
5
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: C₁₅H₂₀O₆S₂
Molecular Weight: 360.45
Synonyms: 2,4-Thiophenedicarboxylic acid, 5-[(2-ethoxy-2-oxoethyl)thio]-3-methyl-, 2,4-diethyl ester
SMILES: CCOC(=O)CSC1=C(C(=C(S1)C(=O)OCC)C)C(=O)OCC
Tpsa: 78.9
Logp: 3.06512
H Acceptors: 8
H Donors: 0
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₂₀O₆S₂
Molecular Weight:
360.45
Synonyms:
2,4-Thiophenedicarboxylic acid, 5-[(2-ethoxy-2-oxoethyl)thio]-3-methyl-, 2,4-diethyl ester
SMILES:
CCOC(=O)CSC1=C(C(=C(S1)C(=O)OCC)C)C(=O)OCC
Tpsa:
78.9
Logp:
3.06512
H Acceptors:
8
H Donors:
0
Rotatable Bonds:
8
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₇H₁₆N₂S
Molecular Weight: 280.39
Synonyms: 2-[(4-methylphenyl)sulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILES: CC1=CC=C(C=C1)SC2=C(C=C3CCCCC3=N2)C#N
Tpsa: 36.68
Logp: 4.2917
H Acceptors: 3
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:
C₁₇H₁₆N₂S
Molecular Weight:
280.39
Synonyms:
2-[(4-methylphenyl)sulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILES:
CC1=CC=C(C=C1)SC2=C(C=C3CCCCC3=N2)C#N
Tpsa:
36.68
Logp:
4.2917
H Acceptors:
3
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: C₁₅H₂₀N₂O₄
Molecular Weight: 292.33
Synonyms: None
SMILES: O=C(C1=CC=CC([N+]([O-])=O)=C1CN2CCC(C)CC2)OC
Tpsa: 72.68
Logp: 2.6133
H Acceptors: 5
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:
C₁₅H₂₀N₂O₄
Molecular Weight:
292.33
Synonyms:
None
SMILES:
O=C(C1=CC=CC([N+]([O-])=O)=C1CN2CCC(C)CC2)OC
Tpsa:
72.68
Logp:
2.6133
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
4