Acetic acid, 2,2'-(1,2,4-trithiolane-3,5-diylidene)bis(cyano-, diethyl ester, (2Z,2'Z)-

Base Information

• Chemical Name: Acetic acid, 2,2'-(1,2,4-trithiolane-3,5-diylidene)bis(cyano-, diethyl ester, (2Z,2'Z)-
• CAS No.: 2631-93-8
• Molecular Formula: C12H10 N2 O4 S3
• Molecular Weight: 342.4138
• NSC Number: 98363
• ChEMBL ID: CHEMBL1525815

Synonyms:NSC98363;NSC 98363;MLS000737198;2631-93-8;Acetic acid, 2,2'-(1,2,4-trithiolane-3,5-diylidene)bis(cyano-, diethyl ester, (2Z,2'Z)-;Acetic acid, 2,2'-(1,2,4-trithiolane-3,5-diylidene)bis[cyano-, diethyl ester, (2Z,2'Z)-;CHEMBL1525815;SCHEMBL21946009;NSC-98363;AKOS024333721;NCGC00246909-01;SMR000528459;(2Z,2'Z)-DIETHYL 2,2'-(1,2,4-TRITHIOLANE-3,5-DIYLIDENE)BIS(2-CYANOACETATE);ethyl (2Z)-2-cyano-2-[(5Z)-5-(1-cyano-2-ethoxy-2-oxo-ethylidene)-1,2,4-trithiolan-3-ylidene]acetate

Chemical Property of Acetic acid, 2,2'-(1,2,4-trithiolane-3,5-diylidene)bis(cyano-, diethyl ester, (2Z,2'Z)-

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 6
• Exact Mass: 341.98027033
• Heavy Atom Count: 21
• Complexity: 567

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(=C1SC(=C(C#N)C(=O)OCC)SS1)C#N
• Isomeric SMILES: CCOC(=O)/C(=C/1\SS/C(=C(\C(=O)OCC)/C#N)/S1)/C#N

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