N-Benzyl-D-glucamine dithiocarbamate
TL;DR: N-Benzyl-D-glucamine dithiocarbamate (CAS 110771-92-1) is a chemical compound with molecular formula C14H21NO5S2 and molecular weight 347.08612 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]carbamodithioic acid
Also Known As: Nbg-dtc, BGDTC, N-Benzylglucamine dithiocarbamate, Benzylglucamine-N-carbodithioate, N-Benzyl-D-glucamine dithiocarbamate
Technical Specifications
| Molecular Formula | C14H21NO5S2 |
| Molecular Weight | 347.08612 g/mol |
| XLogP | -0.8 |
| Topological Polar Surface Area (TPSA) | 137.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 347.08612 Da |
| Heavy Atoms | 22 |
| Complexity | 341.0 |
| SMILES | C1=CC=C(C=C1)CN(C[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)C(=S)S |
| InChIKey | SCJXRYDTCFHSQX-UMSGYPCISA-N |
Chemical Property Profile of N-Benzyl-D-glucamine dithiocarbamate
Property Insights of N-Benzyl-D-glucamine dithiocarbamate
The XLogP value of -0.8 indicates that N-Benzyl-D-glucamine dithiocarbamate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Benzyl-D-glucamine dithiocarbamate. Following Lipinski's Rule of Five, N-Benzyl-D-glucamine dithiocarbamate has 6 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of N-Benzyl-D-glucamine dithiocarbamate?
The CAS number of N-Benzyl-D-glucamine dithiocarbamate is 110771-92-1.
What is the molecular formula of N-Benzyl-D-glucamine dithiocarbamate?
The molecular formula of N-Benzyl-D-glucamine dithiocarbamate is C14H21NO5S2.
What is the molecular weight of N-Benzyl-D-glucamine dithiocarbamate?
The molecular weight of N-Benzyl-D-glucamine dithiocarbamate is 347.08612 g/mol.
Where can I buy N-Benzyl-D-glucamine dithiocarbamate?
You can request a quote for N-Benzyl-D-glucamine dithiocarbamate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-Benzyl-D-glucamine dithiocarbamate?
Yes, CoreyChem provides custom synthesis services for N-Benzyl-D-glucamine dithiocarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.