4-((2-((Methylamino)methyl)phenyl)thio)-1,2-benzenediol (Z)-2-butenedioate (1:1) (salt)

Base Information

• Chemical Name: 4-((2-((Methylamino)methyl)phenyl)thio)-1,2-benzenediol (Z)-2-butenedioate (1:1) (salt)
• CAS No.: 127906-42-7
• Molecular Formula: C18H19NO6S
• Molecular Weight: 377.4116

Synonyms:4-((2-((Methylamino)methyl)phenyl)thio)-1,2-benzenediol (Z)-2-butenedioate (1:1) (salt);127906-42-7;1,2-Benzenediol, 4-((2-((methylamino)methyl)phenyl)thio)-, (Z)-2-butenedioate (1:1) (salt);LS-29992

Chemical Property of 4-((2-((Methylamino)methyl)phenyl)thio)-1,2-benzenediol (Z)-2-butenedioate (1:1) (salt)

Chemical Property:

• Vapor Pressure: 1.83E-08mmHg at 25°C
• Boiling Point: 443.1°Cat760mmHg
• Flash Point: 221.8°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 377.09330850
• Heavy Atom Count: 26
• Complexity: 371

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNCC1=CC=CC=C1SC2=CC(=C(C=C2)O)O.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: CNCC1=CC=CC=C1SC2=CC(=C(C=C2)O)O.C(=C/C(=O)O)\C(=O)O

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