EINECS 272-662-0
TL;DR: EINECS 272-662-0 (CAS 68901-19-9) is a chemical compound with molecular formula C8H20N4S3 and molecular weight 268.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(carbamothioylamino)carbamodithioic acid;N,N-diethylethanamine
Also Known As: EINECS 272-662-0, Hydrazinecarbodithioic acid, 2-(aminothioxomethyl)-, compd. with N,N-diethylethanamine (1:1), (carbamothioylamino)carbamodithioic acid; N,N-diethylethanamine, (carbamothioylamino)carbamodithioic acid;N,N-diethylethanamine, 2-(Aminothioxomethyl)dithiocarbazic acid, compound with triethylamine (1:1)
| Molecular Formula | C8H20N4S3 |
|---|---|
| Molecular Weight | 268.09 g/mol |
| LogP | 0.887 |
| Topological Polar Surface Area | 53.32 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 268.08502 |
| Heavy Atoms | 15 |
| Complexity | 163.21582 |
Chemical Identifiers
| CAS Number | 68901-19-9 |
|---|---|
| SMILES | CCN(CC)CC.C(=S)(N)NNC(=S)S |
Product Overview
EINECS 272-662-0 (CAS 68901-19-9), with molecular formula C8H20N4S3 and molecular weight 268.09 g/mol. IUPAC: (carbamothioylamino)carbamodithioic acid;N,N-diethylethanamine.
Chemical Property Profile of EINECS 272-662-0
Property Insights of EINECS 272-662-0
The XLogP value of 0.887 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 272-662-0. With a topological polar surface area (TPSA) of 53.32 Ų, EINECS 272-662-0 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, EINECS 272-662-0 has 4 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 EINECS 272-662-0?
The CAS number of EINECS 272-662-0 is 68901-19-9.
What is the molecular formula of EINECS 272-662-0?
The molecular formula of EINECS 272-662-0 is C8H20N4S3.
What is the molecular weight of EINECS 272-662-0?
The molecular weight of EINECS 272-662-0 is 268.09 g/mol.
Where can I buy EINECS 272-662-0?
You can request a quote for EINECS 272-662-0 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 272-662-0?
Yes, KEHONG BIO provides custom synthesis services for EINECS 272-662-0 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.