CS-0546013
5-Hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide
Manufacturer: ChemScene
CAS Number: 35179-63-6
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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
C₆H₈F₃N₃OS
Molecular Weight
227.21
Synonyms
5-hydroxy-3-methyl-5-trifluoromethyl-4,5-dihydropyrazole-1-thiocarboxamide
SMILES
CC1=NN(C(C1)(C(F)(F)F)O)C(=S)N
Tpsa
61.85
Logp
0.5625
H Acceptors
3
H Donors
2
Rotatable Bonds
0
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: C₆H₈F₃N₃OS
Molecular Weight: 227.21
Synonyms: 5-hydroxy-3-methyl-5-trifluoromethyl-4,5-dihydropyrazole-1-thiocarboxamide
SMILES: CC1=NN(C(C1)(C(F)(F)F)O)C(=S)N
Tpsa: 61.85
Logp: 0.5625
H Acceptors: 3
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:
C₆H₈F₃N₃OS
Molecular Weight:
227.21
Synonyms:
5-hydroxy-3-methyl-5-trifluoromethyl-4,5-dihydropyrazole-1-thiocarboxamide
SMILES:
CC1=NN(C(C1)(C(F)(F)F)O)C(=S)N
Tpsa:
61.85
Logp:
0.5625
H Acceptors:
3
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: C₁₄H₂₁BN₂O₄S
Molecular Weight: 324.20
Synonyms: None
SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=CN=C2)NS(=O)(=O)C3CC3
Tpsa: 77.52
Logp: 1.2849
H Acceptors: 5
H Donors: 1
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:
C₁₄H₂₁BN₂O₄S
Molecular Weight:
324.20
Synonyms:
None
SMILES:
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CN=C2)NS(=O)(=O)C3CC3
Tpsa:
77.52
Logp:
1.2849
H Acceptors:
5
H Donors:
1
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: C₁₅H₁₆N₄O₃
Molecular Weight: 300.31
Synonyms: 1-[7-(4-hydroxy-3-methoxyphenyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethan-1-one
SMILES: CC1=C(C(N2C(=NC=N2)N1)C3=CC(=C(C=C3)O)OC)C(=O)C
Tpsa: 89.27
Logp: 1.8702
H Acceptors: 7
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:
C₁₅H₁₆N₄O₃
Molecular Weight:
300.31
Synonyms:
1-[7-(4-hydroxy-3-methoxyphenyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethan-1-one
SMILES:
CC1=C(C(N2C(=NC=N2)N1)C3=CC(=C(C=C3)O)OC)C(=O)C
Tpsa:
89.27
Logp:
1.8702
H Acceptors:
7
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: C₁₄H₁₁ClF₃N₃O₂
Molecular Weight: 345.70
Synonyms: 4-{2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]propanoyl}-1H-pyrrole-2-carboxamide
SMILES: CC(C1=C(C=C(C=N1)C(F)(F)F)Cl)C(=O)C2=CNC(=C2)C(=O)N
Tpsa: 88.84
Logp: 3.1672
H Acceptors: 3
H Donors: 2
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:
C₁₄H₁₁ClF₃N₃O₂
Molecular Weight:
345.70
Synonyms:
4-{2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]propanoyl}-1H-pyrrole-2-carboxamide
SMILES:
CC(C1=C(C=C(C=N1)C(F)(F)F)Cl)C(=O)C2=CNC(=C2)C(=O)N
Tpsa:
88.84
Logp:
3.1672
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
4