CS-0545941
2-(2-(1-Carbamothioyl-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene)hydrazinyl)benzoic acid
Manufacturer: ChemScene
CAS Number: 188831-45-0
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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
C₁₂H₁₁N₅O₃S
Molecular Weight
305.31
Synonyms
2-[(2Z)-2-(1-Carbamothioyl-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene)hydrazino]benzoic acid
SMILES
O=C(O)C1=CC=CC=C1NN=C2C(C)=NN(C(N)=S)C2=O
Tpsa
120.38
Logp
0.6144
H Acceptors
6
H Donors
3
Rotatable Bonds
3
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 188831-45-0 | 2-{2-[1-(Aminocarbothioyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazino}benzoic acid | A2B Chem | -- |
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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: C₁₂H₁₁N₅O₃S
Molecular Weight: 305.31
Synonyms: 2-[(2Z)-2-(1-Carbamothioyl-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene)hydrazino]benzoic acid
SMILES: O=C(O)C1=CC=CC=C1NN=C2C(C)=NN(C(N)=S)C2=O
Tpsa: 120.38
Logp: 0.6144
H Acceptors: 6
H Donors: 3
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:
C₁₂H₁₁N₅O₃S
Molecular Weight:
305.31
Synonyms:
2-[(2Z)-2-(1-Carbamothioyl-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene)hydrazino]benzoic acid
SMILES:
O=C(O)C1=CC=CC=C1NN=C2C(C)=NN(C(N)=S)C2=O
Tpsa:
120.38
Logp:
0.6144
H Acceptors:
6
H Donors:
3
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: C₁₅H₈ClF₅N₄O
Molecular Weight: 390.70
Synonyms: 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-(2,6-difluorophenyl)-3-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one
SMILES: CC1=NN(C(=O)N1C2=C(C=CC=C2F)F)C3=C(C=C(C=N3)C(F)(F)F)Cl
Tpsa: 52.71
Logp: 3.67702
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:
C₁₅H₈ClF₅N₄O
Molecular Weight:
390.70
Synonyms:
1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-(2,6-difluorophenyl)-3-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one
SMILES:
CC1=NN(C(=O)N1C2=C(C=CC=C2F)F)C3=C(C=C(C=N3)C(F)(F)F)Cl
Tpsa:
52.71
Logp:
3.67702
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: C₂₅H₂₅BF₄N₂O
Molecular Weight: 456.28
Synonyms: None
SMILES: O=C(C1=CC=CC=C1)CC2(C3=CC=CC=C3)CC(C4=CC=CC=C4)=N[N+]2(C)C.F[B-](F)(F)F
Tpsa: 29.43
Logp: 6.3393
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₅H₂₅BF₄N₂O
Molecular Weight:
456.28
Synonyms:
None
SMILES:
O=C(C1=CC=CC=C1)CC2(C3=CC=CC=C3)CC(C4=CC=CC=C4)=N[N+]2(C)C.F[B-](F)(F)F
Tpsa:
29.43
Logp:
6.3393
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₁₃F₃N₄O₃
Molecular Weight: 366.29
Synonyms: None
SMILES: CC1=C(C(=O)N2C(=N1)N=CN2)CCOC(=O)C3=CC=C(C=C3)C(F)(F)F
Tpsa: 89.35
Logp: 2.14432
H Acceptors: 6
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:
C₁₆H₁₃F₃N₄O₃
Molecular Weight:
366.29
Synonyms:
None
SMILES:
CC1=C(C(=O)N2C(=N1)N=CN2)CCOC(=O)C3=CC=C(C=C3)C(F)(F)F
Tpsa:
89.35
Logp:
2.14432
H Acceptors:
6
H Donors:
1
Rotatable Bonds:
4