2-Propylthiovaleric acid O-ester with 2-(dimethylamino)ethanol fumarate

Base Information

• Chemical Name: 2-Propylthiovaleric acid O-ester with 2-(dimethylamino)ethanol fumarate
• CAS No.: 57554-31-1
• Molecular Formula: C16H29NO5S
• Molecular Weight: 347.4702

Synonyms:2-Propylthiovaleric acid O-ester with 2-(dimethylamino)ethanol fumarate;Valeric acid, 2-propylthio-, O-ester with 2-(dimethylamino)ethanol, fumarate;57554-31-1;C12H25NOS.C4H4O4;C12-H25-N-O-S.C4-H4-O4;LS-161176;Pentanethioic acid, 2-propyl-, O-[2-(dimethylamino)ethyl] ester,(E)-2-butenedioate (1:1)

Chemical Property of 2-Propylthiovaleric acid O-ester with 2-(dimethylamino)ethanol fumarate

Chemical Property:

• Vapor Pressure: 0.00318mmHg at 25°C
• Boiling Point: 283.4°C at 760 mmHg
• Flash Point: 125.2°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 11
• Exact Mass: 347.17664420
• Heavy Atom Count: 23
• Complexity: 284

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(CCC)C(=S)OCCN(C)C.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: CCCC(CCC)C(=S)OCCN(C)C.C(=C/C(=O)O)\C(=O)O

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