CS-0558649
2-((5-(3-Methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetic acid
Manufacturer: ChemScene
CAS Number: 626223-76-5
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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
C₁₂H₁₃N₃O₃S
Molecular Weight
279.31
Synonyms
[5-(3-Methoxy-phenyl)-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid
SMILES
O=C(O)CSC1=NN=C(C2=CC=CC(OC)=C2)N1C
Tpsa
77.24
Logp
1.6674
H Acceptors
6
H Donors
1
Rotatable Bonds
5
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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: C₁₂H₁₃N₃O₃S
Molecular Weight: 279.31
Synonyms: [5-(3-Methoxy-phenyl)-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid
SMILES: O=C(O)CSC1=NN=C(C2=CC=CC(OC)=C2)N1C
Tpsa: 77.24
Logp: 1.6674
H Acceptors: 6
H Donors: 1
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:
C₁₂H₁₃N₃O₃S
Molecular Weight:
279.31
Synonyms:
[5-(3-Methoxy-phenyl)-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid
SMILES:
O=C(O)CSC1=NN=C(C2=CC=CC(OC)=C2)N1C
Tpsa:
77.24
Logp:
1.6674
H Acceptors:
6
H Donors:
1
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: C₁₅H₁₉NO₂
Molecular Weight: 245.32
Synonyms: [1-(4-Methoxy-phenyl)-ethyl]-(5-methyl-furan-2-yl-methyl)-amine
SMILES: CC1=CC=C(O1)CNC(C)C2=CC=C(C=C2)OC
Tpsa: 34.4
Logp: 3.44742
H Acceptors: 3
H Donors: 1
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:
C₁₅H₁₉NO₂
Molecular Weight:
245.32
Synonyms:
[1-(4-Methoxy-phenyl)-ethyl]-(5-methyl-furan-2-yl-methyl)-amine
SMILES:
CC1=CC=C(O1)CNC(C)C2=CC=C(C=C2)OC
Tpsa:
34.4
Logp:
3.44742
H Acceptors:
3
H Donors:
1
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: C₁₄H₁₇NOS
Molecular Weight: 247.36
Synonyms: [1-(4-METHOXY-PHENYL)-ETHYL]-THIOPHEN-2-YLMETHYL-AMINE
SMILES: CC(C1=CC=C(C=C1)OC)NCC2=CC=CS2
Tpsa: 21.26
Logp: 3.6075
H Acceptors: 3
H Donors: 1
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:
C₁₄H₁₇NOS
Molecular Weight:
247.36
Synonyms:
[1-(4-METHOXY-PHENYL)-ETHYL]-THIOPHEN-2-YLMETHYL-AMINE
SMILES:
CC(C1=CC=C(C=C1)OC)NCC2=CC=CS2
Tpsa:
21.26
Logp:
3.6075
H Acceptors:
3
H Donors:
1
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: C₁₄H₂₄N₂S
Molecular Weight: 252.42
Synonyms: (2,2,6,6-TETRAMETHYL-PIPERIDIN-4-YL)-THIOPHEN-2-YLMETHYL-AMINE
SMILES: CC1(CC(CC(N1)(C)C)NCC2=CC=CS2)C
Tpsa: 24.06
Logp: 3.1469
H Acceptors: 3
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:
C₁₄H₂₄N₂S
Molecular Weight:
252.42
Synonyms:
(2,2,6,6-TETRAMETHYL-PIPERIDIN-4-YL)-THIOPHEN-2-YLMETHYL-AMINE
SMILES:
CC1(CC(CC(N1)(C)C)NCC2=CC=CS2)C
Tpsa:
24.06
Logp:
3.1469
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
3