CS-0130677
2-(3-(((4-Chloro-5-cyano-6-(thiophen-2-yl)pyrimidin-2-yl)thio)methyl)phenyl)acetic acid
Manufacturer: ChemScene
CAS Number: 2428519-99-5
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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
C₁₈H₁₂ClN₃O₂S₂
Molecular Weight
401.89
Synonyms
None
SMILES
N#CC1=C(C2=CC=CS2)N=C(SCC3=CC(CC(O)=O)=CC=C3)N=C1Cl
Tpsa
86.87
Logp
4.64958
H Acceptors
6
H Donors
1
Rotatable Bonds
6
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: C₁₈H₁₂ClN₃O₂S₂
Molecular Weight: 401.89
Synonyms: None
SMILES: N#CC1=C(C2=CC=CS2)N=C(SCC3=CC(CC(O)=O)=CC=C3)N=C1Cl
Tpsa: 86.87
Logp: 4.64958
H Acceptors: 6
H Donors: 1
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₈H₁₂ClN₃O₂S₂
Molecular Weight:
401.89
Synonyms:
None
SMILES:
N#CC1=C(C2=CC=CS2)N=C(SCC3=CC(CC(O)=O)=CC=C3)N=C1Cl
Tpsa:
86.87
Logp:
4.64958
H Acceptors:
6
H Donors:
1
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₂₇N₃O₃
Molecular Weight: 273.37
Synonyms: None
SMILES: O=C(N1CCN(C[C@H](N)[C@@H](O)C)CC1)OC(C)(C)C
Tpsa: 79.03
Logp: 0.2472
H Acceptors: 5
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:
C₁₃H₂₇N₃O₃
Molecular Weight:
273.37
Synonyms:
None
SMILES:
O=C(N1CCN(C[C@H](N)[C@@H](O)C)CC1)OC(C)(C)C
Tpsa:
79.03
Logp:
0.2472
H Acceptors:
5
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: C₇H₁₂Cl₂N₄
Molecular Weight: 223.10
Synonyms: None
SMILES: [H][C@@]1([C@H]2N3C=NN=C3)[C@@]2([H])CNC1.[H]Cl.[H]Cl
Tpsa: 42.74
Logp: 0.512
H Acceptors: 4
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:
C₇H₁₂Cl₂N₄
Molecular Weight:
223.10
Synonyms:
None
SMILES:
[H][C@@]1([C@H]2N3C=NN=C3)[C@@]2([H])CNC1.[H]Cl.[H]Cl
Tpsa:
42.74
Logp:
0.512
H Acceptors:
4
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: C₁₂H₁₁BrN₂O₃
Molecular Weight: 311.13
Synonyms: 1,8-Naphthyridine-3-carboxylic acid, 6-bromo-1,4-dihydro-1-methyl-4-oxo-, ethyl ester
SMILES: O=C(C1=CN(C)C2=NC=C(Br)C=C2C1=O)OCC
Tpsa: 61.19
Logp: 1.8727
H Acceptors: 5
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:
C₁₂H₁₁BrN₂O₃
Molecular Weight:
311.13
Synonyms:
1,8-Naphthyridine-3-carboxylic acid, 6-bromo-1,4-dihydro-1-methyl-4-oxo-, ethyl ester
SMILES:
O=C(C1=CN(C)C2=NC=C(Br)C=C2C1=O)OCC
Tpsa:
61.19
Logp:
1.8727
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
2