N-4-Hydroxymethylbenzylglucamine dithiocarbamate

Base Information

• Chemical Name: N-4-Hydroxymethylbenzylglucamine dithiocarbamate
• CAS No.: 127531-17-3
• Molecular Formula: C15H23NO6S2
• Molecular Weight: 377.4762
• DSSTox Substance ID: DTXSID60925907
• Nikkaji Number: J338.652J
• Mol file: 127531-17-3.mol

Synonyms:N-4-hydroxymethylbenzylglucamine dithiocarbamate;N-HBGD;N-p-hydroxymethylbenzyl-D-glucamine dithiocarbamate;sodium N-p-hydroxymethylbenzyl-D-glucamine dithiocarbamate

Chemical Property of N-4-Hydroxymethylbenzylglucamine dithiocarbamate

Chemical Property:

• Vapor Pressure: 8.41E-20mmHg at 25°C
• Boiling Point: 686.7°Cat760mmHg
• Flash Point: 369.1°C
• PSA: 195.51000
• Density: 1.507g/cm³
• LogP: -1.36850
• XLogP3: -1.6
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 9
• Exact Mass: 377.09667980
• Heavy Atom Count: 24
• Complexity: 381

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1CN(CC(C(C(C(CO)O)O)O)O)C(=S)S)CO
• Isomeric SMILES: C1=CC(=CC=C1CN(C[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)C(=S)S)CO