CS-0112116
Ethyl 5-amino-3-(methylthio)-1-phenyl-1H-pyrazole-4-carboxylate
Manufacturer: ChemScene
CAS Number: 40745-03-7
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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
C₁₂H₁₃N₃O₂S
Molecular Weight
263.32
Synonyms
5-aMino-3-Methylthio-1-phenyl-1H-pyrazole-4-carboxylic acid ethyl ester
SMILES
O=C(OC)C1=C(N)N(C2=CC=CC=C2)N=C1SC
Tpsa
70.14
Logp
1.963
H Acceptors
6
H Donors
1
Rotatable Bonds
3
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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: C₁₂H₁₃N₃O₂S
Molecular Weight: 263.32
Synonyms: 5-aMino-3-Methylthio-1-phenyl-1H-pyrazole-4-carboxylic acid ethyl ester
SMILES: O=C(OC)C1=C(N)N(C2=CC=CC=C2)N=C1SC
Tpsa: 70.14
Logp: 1.963
H Acceptors: 6
H Donors: 1
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:
C₁₂H₁₃N₃O₂S
Molecular Weight:
263.32
Synonyms:
5-aMino-3-Methylthio-1-phenyl-1H-pyrazole-4-carboxylic acid ethyl ester
SMILES:
O=C(OC)C1=C(N)N(C2=CC=CC=C2)N=C1SC
Tpsa:
70.14
Logp:
1.963
H Acceptors:
6
H Donors:
1
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: C₄H₄ClFN₄
Molecular Weight: 162.55
Synonyms: None
SMILES: NC1=NC(F)=C(Cl)C(N)=N1
Tpsa: 77.82
Logp: 0.4335
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄H₄ClFN₄
Molecular Weight:
162.55
Synonyms:
None
SMILES:
NC1=NC(F)=C(Cl)C(N)=N1
Tpsa:
77.82
Logp:
0.4335
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: -20°C, sealed storage, away from moisture and light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄H₄Cl₂N₄
Molecular Weight: 179.01
Synonyms: 5,6-Dichloro-2,4-pyrimidinediamine
SMILES: NC1=NC(Cl)=C(Cl)C(N)=N1
Tpsa: 77.82
Logp: 0.9478
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
-20°C, sealed storage, away from moisture and light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄H₄Cl₂N₄
Molecular Weight:
179.01
Synonyms:
5,6-Dichloro-2,4-pyrimidinediamine
SMILES:
NC1=NC(Cl)=C(Cl)C(N)=N1
Tpsa:
77.82
Logp:
0.9478
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄H₄BrClN₄
Molecular Weight: 223.46
Synonyms: 5-bromo-6-chloro-pyrimidine-2,4-diamine
SMILES: NC1=C(Br)C(Cl)=NC(N)=N1
Tpsa: 77.82
Logp: 1.0569
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄H₄BrClN₄
Molecular Weight:
223.46
Synonyms:
5-bromo-6-chloro-pyrimidine-2,4-diamine
SMILES:
NC1=C(Br)C(Cl)=NC(N)=N1
Tpsa:
77.82
Logp:
1.0569
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
0