3-((2-((Methylamino)methyl)phenyl)thio)phenol (Z)-2-butenedioate (1:1) (salt)

Base Information

• Chemical Name: 3-((2-((Methylamino)methyl)phenyl)thio)phenol (Z)-2-butenedioate (1:1) (salt)
• CAS No.: 127906-38-1
• Molecular Formula: C18H19NO5S
• Molecular Weight: 361.41216
• Mol file: 127906-38-1.mol

Synonyms:3-((2-((Methylamino)methyl)phenyl)thio)phenol (Z)-2-butenedioate (1:1) (salt);Phenol, 3-((2-((methylamino)methyl)phenyl)thio)-, (Z)-2-butenedioate (1:1) (salt);127906-38-1;LS-104818

Chemical Property of 3-((2-((Methylamino)methyl)phenyl)thio)phenol (Z)-2-butenedioate (1:1) (salt)

Chemical Property:

• Vapor Pressure: 1.32E-06mmHg at 25°C
• Boiling Point: 388.9 °C at 760 mmHg
• Flash Point: 189 °C
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 361.09839388
• Heavy Atom Count: 25
• Complexity: 343

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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