CS-0888435
4-Cyano-3-methoxy-5-methylthiophene-2-carboxylic acid
Manufacturer: ChemScene
CAS Number: 1499314-12-3
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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
C₈H₇NO₃S
Molecular Weight
197.21
Synonyms
None
SMILES
O=C(C1=C(OC)C(C#N)=C(C)S1)O
Tpsa
70.32
Logp
1.635
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
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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: C₈H₇NO₃S
Molecular Weight: 197.21
Synonyms: None
SMILES: O=C(C1=C(OC)C(C#N)=C(C)S1)O
Tpsa: 70.32
Logp: 1.635
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:
C₈H₇NO₃S
Molecular Weight:
197.21
Synonyms:
None
SMILES:
O=C(C1=C(OC)C(C#N)=C(C)S1)O
Tpsa:
70.32
Logp:
1.635
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: C₈H₇BN₂O₃
Molecular Weight: 189.96
Synonyms: None
SMILES: OB(C1=CC2=C(N=C1)C=CNC2=O)O
Tpsa: 86.21
Logp: -1.3971
H Acceptors: 4
H Donors: 3
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:
C₈H₇BN₂O₃
Molecular Weight:
189.96
Synonyms:
None
SMILES:
OB(C1=CC2=C(N=C1)C=CNC2=O)O
Tpsa:
86.21
Logp:
-1.3971
H Acceptors:
4
H Donors:
3
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: C₉H₁₀N₂O
Molecular Weight: 162.19
Synonyms: None
SMILES: N#CC1=CC(N)=CC(C)=C1OC
Tpsa: 59.04
Logp: 1.4575
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:
C₉H₁₀N₂O
Molecular Weight:
162.19
Synonyms:
None
SMILES:
N#CC1=CC(N)=CC(C)=C1OC
Tpsa:
59.04
Logp:
1.4575
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: C₁₆H₂₀BNO₃
Molecular Weight: 285.15
Synonyms: None
SMILES: CC1(C)C(C)(C)OB(C2=CC3=C(OC)C=CC=C3N=C2)O1
Tpsa: 40.58
Logp: 2.5426
H Acceptors: 4
H Donors: 0
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:
C₁₆H₂₀BNO₃
Molecular Weight:
285.15
Synonyms:
None
SMILES:
CC1(C)C(C)(C)OB(C2=CC3=C(OC)C=CC=C3N=C2)O1
Tpsa:
40.58
Logp:
2.5426
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
2