Methyl 2-(2-cyanoacetamido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate

Name: Methyl 2-(2-cyanoacetamido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Brand: ChemScene
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CAS No. 666728-99-0
Cat. No. CS-0317404
Purity≥97%
MDL No.None

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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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Methyl 2-(2-cyanoacetamido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate|CS-0317404

Structure of 666728-99-0

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General Information

CAS No. 666728-99-0
Cat. No. CS-0317404
Purity ≥97%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₅H₁₈N₂O₃S
Molecular Weight 306.38
Synonym(s) methyl 2-[(cyanoacetyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
SMILES COC(C1=C(SC2=C1CCCCCC2)NC(CC#N)=O)=O

Safety Information

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GHS Pictogram : N/A	GHS No : N/A
Signal Word : N/A	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

TPSA 79.19
LogP 3.04588
H_Acceptors 5
H_Donors 1
Rotatable_Bonds 3

Other Classifications

Building Blocks Functional Group Amide

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic heterocycle compounds Thiophene compounds

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Methyl 2-(2-cyanoacetamido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate

CAS No. 666728-99-0

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