(2-Isothiocyanatoethyl)dimethylamine
TL;DR: (2-Isothiocyanatoethyl)dimethylamine (CAS 7097-89-4) is a chemical compound with molecular formula C5H10N2S and molecular weight 130.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-isothiocyanato-N,N-dimethylethanamine
Also Known As: (2-isothiocyanatoethyl)dimethylamine, (2-Isothiocyanato-ethyl)-dimethyl-amine, -DIMETHYL-AMINE, 2-dimethylaminoethyl isothiocyanate, 2-isothiocyanato-N,N-dimethylethanamine
| Molecular Formula | C5H10N2S |
|---|---|
| Molecular Weight | 130.06 g/mol |
| LogP | 0.6508 |
| Topological Polar Surface Area | 15.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 130.05647 |
| Heavy Atoms | 8 |
| Complexity | 94.60179 |
Chemical Identifiers
| CAS Number | 7097-89-4 |
|---|---|
| SMILES | CN(C)CCN=C=S |
Product Overview
(2-Isothiocyanatoethyl)dimethylamine (CAS 7097-89-4), with molecular formula C5H10N2S and molecular weight 130.06 g/mol. IUPAC: 2-isothiocyanato-N,N-dimethylethanamine.
Chemical Property Profile of (2-Isothiocyanatoethyl)dimethylamine
Property Insights of (2-Isothiocyanatoethyl)dimethylamine
The XLogP value of 0.6508 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Isothiocyanatoethyl)dimethylamine. With a topological polar surface area (TPSA) of 15.6 Ų, (2-Isothiocyanatoethyl)dimethylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-Isothiocyanatoethyl)dimethylamine has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2-Isothiocyanatoethyl)dimethylamine?
The CAS number of (2-Isothiocyanatoethyl)dimethylamine is 7097-89-4.
What is the molecular formula of (2-Isothiocyanatoethyl)dimethylamine?
The molecular formula of (2-Isothiocyanatoethyl)dimethylamine is C5H10N2S.
What is the molecular weight of (2-Isothiocyanatoethyl)dimethylamine?
The molecular weight of (2-Isothiocyanatoethyl)dimethylamine is 130.06 g/mol.
Where can I buy (2-Isothiocyanatoethyl)dimethylamine?
You can request a quote for (2-Isothiocyanatoethyl)dimethylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Isothiocyanatoethyl)dimethylamine?
Yes, KEHONG BIO provides custom synthesis services for (2-Isothiocyanatoethyl)dimethylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.