2,5-Dioxopyrrolidin-1-yl 4-cyano-4-(((ethylthio)carbonothioyl)thio)pentanoate

Name: 2,5-Dioxopyrrolidin-1-yl 4-cyano-4-(((ethylthio)carbonothioyl)thio)pentanoate
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CAS No. 1195771-65-3
Cat. No. CS-0163382
Purity≥95%
MDL No.MFCD26406207

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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2,5-Dioxopyrrolidin-1-yl 4-cyano-4-(((ethylthio)carbonothioyl)thio)pentanoate|CS-0163382

Structure of 1195771-65-3

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General Information

CAS No. 1195771-65-3
Cat. No. CS-0163382
Purity ≥95%
MDL No. MFCD26406207
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₃H₁₆N₂O₄S₃
Molecular Weight 360.47
Synonym(s) Pentanoic acid, 4-cyano-4-[[(ethylthio)thioxomethyl]thio]-, 2,5-dioxo-1-pyrrolidinyl ester
SMILES CC(SC(SCC)=S)(C#N)CCC(ON1C(CCC1=O)=O)=O

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

TPSA 87.47
LogP 2.42728
H_Acceptors 8
H_Donors 0
Rotatable_Bonds 6

Other Classifications

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Functional Group Ester

Building Blocks Skeleton Aliphatic heterocycle compounds Pyrrolidine compounds

Key Words

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2,5-Dioxopyrrolidin-1-yl 4-cyano-4-(((ethylthio)carbonothioyl)thio)pentanoate

CAS No. 1195771-65-3

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