CS-1022788
Methyl 5-(3,3-dimethylbut-1-yn-1-yl)-3-(2,2,2-trifluoroacetamido)thiophene-2-carboxylate
Manufacturer: ChemScene
CAS Number: 1612898-48-2
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Purity
95%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₄H₁₄F₃NO₃S
Molecular Weight
333.33
Synonyms
None
SMILES
O=C(OC)C=1SC(C#CC(C)(C)C)=CC1NC(=O)C(F)(F)F
Tpsa
55.4
Logp
3.4331
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: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₁₄F₃NO₃S
Molecular Weight: 333.33
Synonyms: None
SMILES: O=C(OC)C=1SC(C#CC(C)(C)C)=CC1NC(=O)C(F)(F)F
Tpsa: 55.4
Logp: 3.4331
H Acceptors: 4
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:
C₁₄H₁₄F₃NO₃S
Molecular Weight:
333.33
Synonyms:
None
SMILES:
O=C(OC)C=1SC(C#CC(C)(C)C)=CC1NC(=O)C(F)(F)F
Tpsa:
55.4
Logp:
3.4331
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
2
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₇NO₃
Molecular Weight: 177.16
Synonyms: None
SMILES: O=C1OC=2C=CC=C(O)C2C=C1N
Tpsa: 76.46
Logp: 1.0808
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 0
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₇NO₃
Molecular Weight:
177.16
Synonyms:
None
SMILES:
O=C1OC=2C=CC=C(O)C2C=C1N
Tpsa:
76.46
Logp:
1.0808
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
0
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₄O
Molecular Weight: 174.24
Synonyms: None
SMILES: O=CC1(C=2C=CC=CC2CC1)CC
Tpsa: 17.07
Logp: 2.4795
H Acceptors: 1
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:
C₁₂H₁₄O
Molecular Weight:
174.24
Synonyms:
None
SMILES:
O=CC1(C=2C=CC=CC2CC1)CC
Tpsa:
17.07
Logp:
2.4795
H Acceptors:
1
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: C₁₅H₁₇BrN₂O₂
Molecular Weight: 337.21
Synonyms: None
SMILES: O=C(OC(C)(C)C)N(C=1N=CC2=CC(Br)=CC=C2C1)C
Tpsa: 42.43
Logp: 4.3686
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 1
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₁₇BrN₂O₂
Molecular Weight:
337.21
Synonyms:
None
SMILES:
O=C(OC(C)(C)C)N(C=1N=CC2=CC(Br)=CC=C2C1)C
Tpsa:
42.43
Logp:
4.3686
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
1