CS-0557586
4-Amino-5-(4-chloro-2-fluorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Manufacturer: ChemScene
CAS Number: 1152598-13-4
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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
C₈H₆ClFN₄S
Molecular Weight
244.68
Synonyms
4-amino-5-(4-chloro-2-fluorophenyl)-4H-1,2,4-triazole-3-thiol
SMILES
C1=CC(=C(C=C1Cl)F)C2=NNC(=S)N2N
Tpsa
59.63
Logp
2.11399
H Acceptors
4
H Donors
2
Rotatable Bonds
1
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: C₈H₆ClFN₄S
Molecular Weight: 244.68
Synonyms: 4-amino-5-(4-chloro-2-fluorophenyl)-4H-1,2,4-triazole-3-thiol
SMILES: C1=CC(=C(C=C1Cl)F)C2=NNC(=S)N2N
Tpsa: 59.63
Logp: 2.11399
H Acceptors: 4
H Donors: 2
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:
C₈H₆ClFN₄S
Molecular Weight:
244.68
Synonyms:
4-amino-5-(4-chloro-2-fluorophenyl)-4H-1,2,4-triazole-3-thiol
SMILES:
C1=CC(=C(C=C1Cl)F)C2=NNC(=S)N2N
Tpsa:
59.63
Logp:
2.11399
H Acceptors:
4
H Donors:
2
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: C₁₁H₁₁N₃O₂
Molecular Weight: 217.22
Synonyms: Ethyl 2-(1H-pyrrol-1-yl)-5-pyrimidinecarboxylate
SMILES: CCOC(=O)C1=CN=C(N=C1)N2C=CC=C2
Tpsa: 57.01
Logp: 1.444
H Acceptors: 5
H Donors: 0
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:
C₁₁H₁₁N₃O₂
Molecular Weight:
217.22
Synonyms:
Ethyl 2-(1H-pyrrol-1-yl)-5-pyrimidinecarboxylate
SMILES:
CCOC(=O)C1=CN=C(N=C1)N2C=CC=C2
Tpsa:
57.01
Logp:
1.444
H Acceptors:
5
H Donors:
0
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: C₁₁H₁₁N₂NaO₃
Molecular Weight: 242.21
Synonyms: 5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoic acid, sodium salt
SMILES: CC1=CC(=NN1CC2=CC=C(O2)C(=O)[O-])C.[Na+]
Tpsa: 71.09
Logp: -2.49126
H Acceptors: 5
H Donors: 0
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:
C₁₁H₁₁N₂NaO₃
Molecular Weight:
242.21
Synonyms:
5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoic acid, sodium salt
SMILES:
CC1=CC(=NN1CC2=CC=C(O2)C(=O)[O-])C.[Na+]
Tpsa:
71.09
Logp:
-2.49126
H Acceptors:
5
H Donors:
0
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: C₉H₁₁NO₄
Molecular Weight: 197.19
Synonyms: 1H-Pyrrole-1-carboxylic acid, 2,5-dihydro-2,5-dioxo-, 1,1-diMethylethyl ester
SMILES: CC(C)(C)OC(=O)N1C(=O)C=CC1=O
Tpsa: 63.68
Logp: 0.8465
H Acceptors: 4
H Donors: 0
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:
C₉H₁₁NO₄
Molecular Weight:
197.19
Synonyms:
1H-Pyrrole-1-carboxylic acid, 2,5-dihydro-2,5-dioxo-, 1,1-diMethylethyl ester
SMILES:
CC(C)(C)OC(=O)N1C(=O)C=CC1=O
Tpsa:
63.68
Logp:
0.8465
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
0