CS-0546904
3-((2-Bromo-4-fluorobenzyl)thio)-5-methyl-1H-1,2,4-triazole
Manufacturer: ChemScene
CAS Number: 931205-08-2
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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
C₁₀H₉BrFN₃S
Molecular Weight
302.17
Synonyms
None
SMILES
CC1=NC(=NN1)SCC2=C(C=C(C=C2)F)Br
Tpsa
41.57
Logp
3.30702
H Acceptors
3
H Donors
1
Rotatable Bonds
3
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: C₁₀H₉BrFN₃S
Molecular Weight: 302.17
Synonyms: None
SMILES: CC1=NC(=NN1)SCC2=C(C=C(C=C2)F)Br
Tpsa: 41.57
Logp: 3.30702
H Acceptors: 3
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:
C₁₀H₉BrFN₃S
Molecular Weight:
302.17
Synonyms:
None
SMILES:
CC1=NC(=NN1)SCC2=C(C=C(C=C2)F)Br
Tpsa:
41.57
Logp:
3.30702
H Acceptors:
3
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: C₁₀H₄ClF₃OS
Molecular Weight: 264.65
Synonyms: None
SMILES: FC(F)(F)C=1OC=2C=CC=CC2C(=S)C1Cl
Tpsa: 13.14
Logp: 4.83449
H Acceptors: 2
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:
C₁₀H₄ClF₃OS
Molecular Weight:
264.65
Synonyms:
None
SMILES:
FC(F)(F)C=1OC=2C=CC=CC2C(=S)C1Cl
Tpsa:
13.14
Logp:
4.83449
H Acceptors:
2
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: C₁₀H₁₂N₄O₃
Molecular Weight: 236.23
Synonyms: 2-{5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}ethyl acetate
SMILES: CC1=C(C(=O)N2C(=N1)N=CN2)CCOC(=O)C
Tpsa: 89.35
Logp: -0.16838
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:
C₁₀H₁₂N₄O₃
Molecular Weight:
236.23
Synonyms:
2-{5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}ethyl acetate
SMILES:
CC1=C(C(=O)N2C(=N1)N=CN2)CCOC(=O)C
Tpsa:
89.35
Logp:
-0.16838
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: C₁₇H₁₇N₃O
Molecular Weight: 279.34
Synonyms: 2-BENZYL-5-METHYL-4-(4-METHYLPHENYL)-2,4-DIHYDRO-3H-1,2,4-TRIAZOL-3-ONE
SMILES: CC1=CC=C(C=C1)N2C(=NN(C2=O)CC3=CC=CC=C3)C
Tpsa: 39.82
Logp: 2.69914
H Acceptors: 4
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:
C₁₇H₁₇N₃O
Molecular Weight:
279.34
Synonyms:
2-BENZYL-5-METHYL-4-(4-METHYLPHENYL)-2,4-DIHYDRO-3H-1,2,4-TRIAZOL-3-ONE
SMILES:
CC1=CC=C(C=C1)N2C(=NN(C2=O)CC3=CC=CC=C3)C
Tpsa:
39.82
Logp:
2.69914
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
3