CS-1064857
3-Methyl-4-(3,3,3-trifluoroprop-1-yn-1-yl)isothiazole-5-carboxylic acid
Manufacturer: ChemScene
CAS Number: 2610339-50-7
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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
C₈H₄F₃NO₂S
Molecular Weight
235.18
Synonyms
None
SMILES
O=C(O)C=1SN=C(C1C#CC(F)(F)F)C
Tpsa
50.19
Logp
2.06352
H Acceptors
3
H Donors
1
Rotatable Bonds
1
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: C₈H₄F₃NO₂S
Molecular Weight: 235.18
Synonyms: None
SMILES: O=C(O)C=1SN=C(C1C#CC(F)(F)F)C
Tpsa: 50.19
Logp: 2.06352
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:
C₈H₄F₃NO₂S
Molecular Weight:
235.18
Synonyms:
None
SMILES:
O=C(O)C=1SN=C(C1C#CC(F)(F)F)C
Tpsa:
50.19
Logp:
2.06352
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: C₁₃H₁₁FO
Molecular Weight: 202.22
Synonyms: None
SMILES: FC1=CC=C(C#CC(C)C)C=2OC=CC12
Tpsa: 13.14
Logp: 3.5794
H Acceptors: 1
H Donors: 0
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₁FO
Molecular Weight:
202.22
Synonyms:
None
SMILES:
FC1=CC=C(C#CC(C)C)C=2OC=CC12
Tpsa:
13.14
Logp:
3.5794
H Acceptors:
1
H Donors:
0
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₂₇N₃Si
Molecular Weight: 289.49
Synonyms: None
SMILES: C(#C[Si](C(C)C)(C(C)C)C(C)C)C1=NC(N)=CN=C1C
Tpsa: 51.8
Logp: 3.93672
H Acceptors: 3
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:
C₁₆H₂₇N₃Si
Molecular Weight:
289.49
Synonyms:
None
SMILES:
C(#C[Si](C(C)C)(C(C)C)C(C)C)C1=NC(N)=CN=C1C
Tpsa:
51.8
Logp:
3.93672
H Acceptors:
3
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: C₁₃H₁₅N₃O₂
Molecular Weight: 245.28
Synonyms: None
SMILES: OCC(OCC#CC1=NC=2C=CN(C2N=C1)C)C
Tpsa: 60.17
Logp: 0.7172
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:
C₁₃H₁₅N₃O₂
Molecular Weight:
245.28
Synonyms:
None
SMILES:
OCC(OCC#CC1=NC=2C=CN(C2N=C1)C)C
Tpsa:
60.17
Logp:
0.7172
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
3