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

Base Information

• Chemical Name: 2-((2-((Dimethylamino)methyl)phenyl)thio)-1,4-benzenediol (Z)-2-butenedioate (1:1) (salt)
• CAS No.: 127906-29-0
• Molecular Formula: C19H21NO6S
• Molecular Weight: 391.4381
• Mol file: 127906-29-0.mol

Synonyms:2-((2-((Dimethylamino)methyl)phenyl)thio)-1,4-benzenediol (Z)-2-butenedioate (1:1) (salt);127906-29-0;1,4-Benzenediol, 2-((2-((dimethylamino)methyl)phenyl)thio)-, (Z)-2-butenedioate (1:1) (salt);(E)-but-2-enedioic acid;2-[2-[(dimethylamino)methyl]phenyl]sulfanylbenzene-1,4-diol;LS-29956

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

Chemical Property:

• Vapor Pressure: 3.83E-07mmHg at 25°C
• Boiling Point: 405.1°Cat760mmHg
• Flash Point: 198.8°C
• PSA: 143.60000
• Density: g/cm³
• LogP: 3.02240
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 391.10895856
• Heavy Atom Count: 27
• Complexity: 394

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)CC1=CC=CC=C1SC2=C(C=CC(=C2)O)O.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: CN(C)CC1=CC=CC=C1SC2=C(C=CC(=C2)O)O.C(=C/C(=O)O)\C(=O)O