双(2-乙基己基)氨荒酸
TL;DR: 双(2-乙基己基)氨荒酸 (CAS 77414-73-4) is a chemical compound with molecular formula C17H35NS2 and molecular weight 317.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
双(2-乙基己基)氨荒酸
bis(2-ethylhexyl)carbamodithioic acid
Also Known As: bis(2-ethylhexyl)carbamodithioic acid, bis(2-ethylhexyl)carbamodithioicacid, Bis(2-ethylhexyl)dithiocarbamic acid, Carbamodithioic acid, bis(2-ethylhexyl)-, N,N-Bis(2-ethylhexyl)dithiocarbamic acid
| Molecular Formula | C17H35NS2 |
|---|---|
| Molecular Weight | 317.22 g/mol |
| LogP | 7.2 |
| Topological Polar Surface Area | 36.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 12 |
| Exact Mass | 317.2211 |
| Heavy Atoms | 20 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 77414-73-4 |
|---|---|
| SMILES | CCCCC(CC)CN(CC(CC)CCCC)C(=S)S |
| InChIKey | XJCMKFWIBWYYIB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
双(2-乙基己基)氨荒酸 (CAS 77414-73-4), with molecular formula C17H35NS2 and molecular weight 317.22 g/mol. IUPAC: bis(2-ethylhexyl)carbamodithioic acid.
Chemical Property Profile of 双(2-乙基己基)氨荒酸
Property Insights of 双(2-乙基己基)氨荒酸
The XLogP value of 7.2 indicates that 双(2-乙基己基)氨荒酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.3 Ų, 双(2-乙基己基)氨荒酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 双(2-乙基己基)氨荒酸 has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 双(2-乙基己基)氨荒酸?
The CAS number of 双(2-乙基己基)氨荒酸 is 77414-73-4.
What is the molecular formula of 双(2-乙基己基)氨荒酸?
The molecular formula of 双(2-乙基己基)氨荒酸 is C17H35NS2.
What is the molecular weight of 双(2-乙基己基)氨荒酸?
The molecular weight of 双(2-乙基己基)氨荒酸 is 317.22 g/mol.
Where can I buy 双(2-乙基己基)氨荒酸?
You can request a quote for 双(2-乙基己基)氨荒酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 双(2-乙基己基)氨荒酸?
Yes, KEHONG BIO provides custom synthesis services for 双(2-乙基己基)氨荒酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.