CS-0611403
Ethyl 4-ethynyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
Manufacturer: ChemScene
CAS Number: 52649-03-3
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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
C₁₁H₁₃NO₂
Molecular Weight
191.23
Synonyms
1H-Pyrrole-2-carboxylic acid,4-ethynyl-3,5-dimethyl-,ethyl ester
SMILES
O=C(C1=C(C)C(C#C)=C(C)N1)OCC
Tpsa
42.09
Logp
1.78954
H Acceptors
2
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: C₁₁H₁₃NO₂
Molecular Weight: 191.23
Synonyms: 1H-Pyrrole-2-carboxylic acid,4-ethynyl-3,5-dimethyl-,ethyl ester
SMILES: O=C(C1=C(C)C(C#C)=C(C)N1)OCC
Tpsa: 42.09
Logp: 1.78954
H Acceptors: 2
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:
C₁₁H₁₃NO₂
Molecular Weight:
191.23
Synonyms:
1H-Pyrrole-2-carboxylic acid,4-ethynyl-3,5-dimethyl-,ethyl ester
SMILES:
O=C(C1=C(C)C(C#C)=C(C)N1)OCC
Tpsa:
42.09
Logp:
1.78954
H Acceptors:
2
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: C₇H₆N₂S
Molecular Weight: 150.20
Synonyms: Pyrimidine, 4-ethynyl-2-(methylthio)- (9CI)
SMILES: CSC1=NC=CC(C#C)=N1
Tpsa: 25.78
Logp: 1.1798
H Acceptors: 3
H Donors: 0
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:
C₇H₆N₂S
Molecular Weight:
150.20
Synonyms:
Pyrimidine, 4-ethynyl-2-(methylthio)- (9CI)
SMILES:
CSC1=NC=CC(C#C)=N1
Tpsa:
25.78
Logp:
1.1798
H Acceptors:
3
H Donors:
0
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: C₁₁H₁₁Br
Molecular Weight: 223.11
Synonyms: 2-bromo-4-ethynyl-1,3,5-trimethyl-benzene
SMILES: CC1=C(C#C)C(C)=C(Br)C(C)=C1
Tpsa: 0
Logp: 3.35566
H Acceptors: 0
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:
C₁₁H₁₁Br
Molecular Weight:
223.11
Synonyms:
2-bromo-4-ethynyl-1,3,5-trimethyl-benzene
SMILES:
CC1=C(C#C)C(C)=C(Br)C(C)=C1
Tpsa:
0
Logp:
3.35566
H Acceptors:
0
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: C₈H₃ClN₂S
Molecular Weight: 194.64
Synonyms: None
SMILES: C#CC1=CC2=C(Cl)N=CN=C2S1
Tpsa: 25.78
Logp: 2.326
H Acceptors: 3
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:
C₈H₃ClN₂S
Molecular Weight:
194.64
Synonyms:
None
SMILES:
C#CC1=CC2=C(Cl)N=CN=C2S1
Tpsa:
25.78
Logp:
2.326
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
0