CS-0904168
5-Cyano-2-((trifluoromethyl)thio)benzoic acid
Manufacturer: ChemScene
CAS Number: 2924574-04-7
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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
C₉H₄F₃NO₂S
Molecular Weight
247.19
Synonyms
None
SMILES
O=C(O)C1=CC(C#N)=CC=C1SC(F)(F)F
Tpsa
61.09
Logp
2.86838
H Acceptors
3
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: C₉H₄F₃NO₂S
Molecular Weight: 247.19
Synonyms: None
SMILES: O=C(O)C1=CC(C#N)=CC=C1SC(F)(F)F
Tpsa: 61.09
Logp: 2.86838
H Acceptors: 3
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:
C₉H₄F₃NO₂S
Molecular Weight:
247.19
Synonyms:
None
SMILES:
O=C(O)C1=CC(C#N)=CC=C1SC(F)(F)F
Tpsa:
61.09
Logp:
2.86838
H Acceptors:
3
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: C₆H₁₃NO₅S
Molecular Weight: 211.24
Synonyms: None
SMILES: O=C(OC)N[C@@H](C)COS(=O)(C)=O
Tpsa: 81.7
Logp: -0.2929
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:
C₆H₁₃NO₅S
Molecular Weight:
211.24
Synonyms:
None
SMILES:
O=C(OC)N[C@@H](C)COS(=O)(C)=O
Tpsa:
81.7
Logp:
-0.2929
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: C₁₃H₁₆FNO₄
Molecular Weight: 269.27
Synonyms: None
SMILES: O=C(OC)C1=CC=CC(NC(OC(C)(C)C)=O)=C1F
Tpsa: 64.63
Logp: 2.9593
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:
C₁₃H₁₆FNO₄
Molecular Weight:
269.27
Synonyms:
None
SMILES:
O=C(OC)C1=CC=CC(NC(OC(C)(C)C)=O)=C1F
Tpsa:
64.63
Logp:
2.9593
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
2
Purity: 98%
MDL No: MFCD18412220
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₅ClFNO₃S
Molecular Weight: 225.63
Synonyms: None
SMILES: O=S(C1=NC(F)=C(OC)C=C1)(Cl)=O
Tpsa: 56.26
Logp: 1.1568
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 2
Purity:
98%
MDL No:
MFCD18412220
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₅ClFNO₃S
Molecular Weight:
225.63
Synonyms:
None
SMILES:
O=S(C1=NC(F)=C(OC)C=C1)(Cl)=O
Tpsa:
56.26
Logp:
1.1568
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
2