CS-0288987
Methyl 3-(hexa-2,4-dienamido)thiophene-2-carboxylate
Manufacturer: ChemScene
CAS Number: 1158116-53-0
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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
C₁₂H₁₃NO₃S
Molecular Weight
251.30
Synonyms
2-Thiophenecarboxylic acid, 3-[(1-oxo-2,4-hexadien-1-yl)amino]-, methyl ester
SMILES
O=C(C1=C(NC(C=CC=CC)=O)C=CS1)OC
Tpsa
55.4
Logp
2.6055
H Acceptors
4
H Donors
1
Rotatable Bonds
4
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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: C₁₂H₁₃NO₃S
Molecular Weight: 251.30
Synonyms: 2-Thiophenecarboxylic acid, 3-[(1-oxo-2,4-hexadien-1-yl)amino]-, methyl ester
SMILES: O=C(C1=C(NC(C=CC=CC)=O)C=CS1)OC
Tpsa: 55.4
Logp: 2.6055
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₃NO₃S
Molecular Weight:
251.30
Synonyms:
2-Thiophenecarboxylic acid, 3-[(1-oxo-2,4-hexadien-1-yl)amino]-, methyl ester
SMILES:
O=C(C1=C(NC(C=CC=CC)=O)C=CS1)OC
Tpsa:
55.4
Logp:
2.6055
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₁NO₄S
Molecular Weight: 265.29
Synonyms: None
SMILES: O=C(C1=C(NC(C2=C(C)OC=C2)=O)C=CS1)OC
Tpsa: 68.54
Logp: 2.68842
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:
C₁₂H₁₁NO₄S
Molecular Weight:
265.29
Synonyms:
None
SMILES:
O=C(C1=C(NC(C2=C(C)OC=C2)=O)C=CS1)OC
Tpsa:
68.54
Logp:
2.68842
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: C₁₁H₈BrNO₃S₂
Molecular Weight: 346.22
Synonyms: None
SMILES: O=C(C1=C(NC(C2=CC=C(Br)S2)=O)C=CS1)OC
Tpsa: 55.4
Logp: 3.611
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:
C₁₁H₈BrNO₃S₂
Molecular Weight:
346.22
Synonyms:
None
SMILES:
O=C(C1=C(NC(C2=CC=C(Br)S2)=O)C=CS1)OC
Tpsa:
55.4
Logp:
3.611
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
3
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₁₀N₂O₃S
Molecular Weight: 286.31
Synonyms: None
SMILES: O=C(C1=C(NC(C2=CC=C(C#N)C=C2)=O)C=CS1)OC
Tpsa: 79.19
Logp: 2.65868
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 3
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₁₀N₂O₃S
Molecular Weight:
286.31
Synonyms:
None
SMILES:
O=C(C1=C(NC(C2=CC=C(C#N)C=C2)=O)C=CS1)OC
Tpsa:
79.19
Logp:
2.65868
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
3