CS-0644560
5-Mercapto-2-(4-methoxybenzyl)-4-(trifluoromethyl)pyridazin-3(2H)-one
Manufacturer: ChemScene
CAS Number: 2381044-82-0
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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
C₁₃H₁₁F₃N₂O₂S
Molecular Weight
316.30
Synonyms
None
SMILES
O=C1C(C(F)(F)F)=C(S)C=NN1CC2=CC=C(OC)C=C2
Tpsa
44.12
Logp
2.6077
H Acceptors
5
H Donors
1
Rotatable Bonds
3
Related Products
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: C₁₃H₁₁F₃N₂O₂S
Molecular Weight: 316.30
Synonyms: None
SMILES: O=C1C(C(F)(F)F)=C(S)C=NN1CC2=CC=C(OC)C=C2
Tpsa: 44.12
Logp: 2.6077
H Acceptors: 5
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:
C₁₃H₁₁F₃N₂O₂S
Molecular Weight:
316.30
Synonyms:
None
SMILES:
O=C1C(C(F)(F)F)=C(S)C=NN1CC2=CC=C(OC)C=C2
Tpsa:
44.12
Logp:
2.6077
H Acceptors:
5
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: C₆H₆O₄
Molecular Weight: 142.11
Synonyms: None
SMILES: O=C([C@@H]1[C@@]2([H])COC([C@@]12[H])=O)O
Tpsa: 63.6
Logp: -0.51
H Acceptors: 3
H Donors: 1
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:
C₆H₆O₄
Molecular Weight:
142.11
Synonyms:
None
SMILES:
O=C([C@@H]1[C@@]2([H])COC([C@@]12[H])=O)O
Tpsa:
63.6
Logp:
-0.51
H Acceptors:
3
H Donors:
1
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: C₈H₁₀O₃
Molecular Weight: 154.16
Synonyms: None
SMILES: O=C([C@@H]1[C@@]2([H])CCCC([C@@]12[H])=O)O
Tpsa: 54.37
Logp: 0.6862
H Acceptors: 2
H Donors: 1
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:
C₈H₁₀O₃
Molecular Weight:
154.16
Synonyms:
None
SMILES:
O=C([C@@H]1[C@@]2([H])CCCC([C@@]12[H])=O)O
Tpsa:
54.37
Logp:
0.6862
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
1
Purity: 98%
MDL No: MFCD19228744
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₁₂O₃
Molecular Weight: 132.16
Synonyms: None
SMILES: CC(C)(CO)CC(O)=O
Tpsa: 57.53
Logp: 0.4796
H Acceptors: 2
H Donors: 2
Rotatable Bonds: 3
Purity:
98%
MDL No:
MFCD19228744
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₁₂O₃
Molecular Weight:
132.16
Synonyms:
None
SMILES:
CC(C)(CO)CC(O)=O
Tpsa:
57.53
Logp:
0.4796
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
3