CS-0883366
2-Cyanobenzo[b]thiophene-5-carboxylic acid
Manufacturer: ChemScene
CAS Number: 1782794-99-3
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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
C₁₀H₅NO₂S
Molecular Weight
203.22
Synonyms
None
SMILES
O=C(C1=CC=C2C(C=C(C#N)S2)=C1)O
Tpsa
61.09
Logp
2.47118
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
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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: C₁₀H₅NO₂S
Molecular Weight: 203.22
Synonyms: None
SMILES: O=C(C1=CC=C2C(C=C(C#N)S2)=C1)O
Tpsa: 61.09
Logp: 2.47118
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:
C₁₀H₅NO₂S
Molecular Weight:
203.22
Synonyms:
None
SMILES:
O=C(C1=CC=C2C(C=C(C#N)S2)=C1)O
Tpsa:
61.09
Logp:
2.47118
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: C₁₀H₆N₂O₂
Molecular Weight: 186.17
Synonyms: None
SMILES: O=C(C1=CC2=C(C=C1)C=C(C#N)N2)O
Tpsa: 76.88
Logp: 1.73778
H Acceptors: 2
H Donors: 2
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:
C₁₀H₆N₂O₂
Molecular Weight:
186.17
Synonyms:
None
SMILES:
O=C(C1=CC2=C(C=C1)C=C(C#N)N2)O
Tpsa:
76.88
Logp:
1.73778
H Acceptors:
2
H Donors:
2
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: C₁₉H₂₅NO₅
Molecular Weight: 347.41
Synonyms: None
SMILES: O=C(N1[C@]2([H])C[C@]2(COCC3=CC=CC=C3)C[C@H]1C(O)=O)OC(C)(C)C
Tpsa: 76.07
Logp: 3.0559
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₉H₂₅NO₅
Molecular Weight:
347.41
Synonyms:
None
SMILES:
O=C(N1[C@]2([H])C[C@]2(COCC3=CC=CC=C3)C[C@H]1C(O)=O)OC(C)(C)C
Tpsa:
76.07
Logp:
3.0559
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₁₁ClN₂O
Molecular Weight: 162.62
Synonyms: None
SMILES: N#CC1(COC)CNC1.Cl
Tpsa: 45.05
Logp: 0.16778
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:
C₆H₁₁ClN₂O
Molecular Weight:
162.62
Synonyms:
None
SMILES:
N#CC1(COC)CNC1.Cl
Tpsa:
45.05
Logp:
0.16778
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
2