CS-0360617
5-(Methylthio)-3-(trifluoromethyl)isothiazole-4-carboxylic acid
Manufacturer: ChemScene
CAS Number: 157984-53-7
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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
C₆H₄F₃NO₂S₂
Molecular Weight
243.23
Synonyms
5-Methylsulfanyl-3-trifluoromethyl-isothiazole-4-carboxylic acid
SMILES
CSC1=C(C(=NS1)C(F)(F)F)C(=O)O
Tpsa
50.19
Logp
2.582
H Acceptors
4
H Donors
1
Rotatable Bonds
2
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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: C₆H₄F₃NO₂S₂
Molecular Weight: 243.23
Synonyms: 5-Methylsulfanyl-3-trifluoromethyl-isothiazole-4-carboxylic acid
SMILES: CSC1=C(C(=NS1)C(F)(F)F)C(=O)O
Tpsa: 50.19
Logp: 2.582
H Acceptors: 4
H Donors: 1
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:
C₆H₄F₃NO₂S₂
Molecular Weight:
243.23
Synonyms:
5-Methylsulfanyl-3-trifluoromethyl-isothiazole-4-carboxylic acid
SMILES:
CSC1=C(C(=NS1)C(F)(F)F)C(=O)O
Tpsa:
50.19
Logp:
2.582
H Acceptors:
4
H Donors:
1
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: C₁₂H₉N₃S
Molecular Weight: 227.28
Synonyms: 5-(naphthalen-2-yl)-4H-1,2,4-triazole-3-thiol
SMILES: C1=CC2=C(C=C1)C=C(C=C2)C3=NC(=NN3)S
Tpsa: 41.57
Logp: 2.9136
H Acceptors: 3
H Donors: 2
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:
C₁₂H₉N₃S
Molecular Weight:
227.28
Synonyms:
5-(naphthalen-2-yl)-4H-1,2,4-triazole-3-thiol
SMILES:
C1=CC2=C(C=C1)C=C(C=C2)C3=NC(=NN3)S
Tpsa:
41.57
Logp:
2.9136
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
1
Purity: 90%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₈O₃
Molecular Weight: 176.17
Synonyms: 5-(prop-2-yn-1-yloxy)-2H-1,3-benzodioxole
SMILES: C#CCOC1=CC=C(OCO2)C2=C1
Tpsa: 27.69
Logp: 1.4273
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 2
Purity:
90%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₈O₃
Molecular Weight:
176.17
Synonyms:
5-(prop-2-yn-1-yloxy)-2H-1,3-benzodioxole
SMILES:
C#CCOC1=CC=C(OCO2)C2=C1
Tpsa:
27.69
Logp:
1.4273
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
2
Purity: 95+%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₀O₂S
Molecular Weight: 218.27
Synonyms: 5-(4-Methylphenyl)thiophene-2-carboxylic acid
SMILES: CC1=CC=C(C=C1)C2=CC=C(C(=O)O)S2
Tpsa: 37.3
Logp: 3.42172
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 2
Purity:
95+%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₀O₂S
Molecular Weight:
218.27
Synonyms:
5-(4-Methylphenyl)thiophene-2-carboxylic acid
SMILES:
CC1=CC=C(C=C1)C2=CC=C(C(=O)O)S2
Tpsa:
37.3
Logp:
3.42172
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
2