((2-Aminoethyl)sulfanyl)carbothioamide
TL;DR: ((2-Aminoethyl)sulfanyl)carbothioamide (CAS 58450-28-5) is a chemical compound with molecular formula C3H8N2S2 and molecular weight 136.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-aminoethyl carbamodithioate
Also Known As: Preparation 275, 2-aminoethyl dithiocarbamate, 2-aminoethyl carbamodithioate, ((2-Aminoethyl)sulfanyl)carbothioamide, (2-Aminoethyl)dithiocarbamic acid
| Molecular Formula | C3H8N2S2 |
|---|---|
| Molecular Weight | 136.01 g/mol |
| LogP | -0.0781 |
| Topological Polar Surface Area | 52.04 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 136.0129 |
| Heavy Atoms | 7 |
| Complexity | 63.955246 |
Chemical Identifiers
| CAS Number | 58450-28-5 |
|---|---|
| SMILES | C(CSC(=S)N)N |
Product Overview
((2-Aminoethyl)sulfanyl)carbothioamide (CAS 58450-28-5), with molecular formula C3H8N2S2 and molecular weight 136.01 g/mol. IUPAC: 2-aminoethyl carbamodithioate.
Chemical Property Profile of ((2-Aminoethyl)sulfanyl)carbothioamide
Property Insights of ((2-Aminoethyl)sulfanyl)carbothioamide
The XLogP value of -0.0781 indicates that ((2-Aminoethyl)sulfanyl)carbothioamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 52.04 Ų, ((2-Aminoethyl)sulfanyl)carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ((2-Aminoethyl)sulfanyl)carbothioamide has 2 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-Aminoethyl)sulfanyl)carbothioamide?
The CAS number of ((2-Aminoethyl)sulfanyl)carbothioamide is 58450-28-5.
What is the molecular formula of ((2-Aminoethyl)sulfanyl)carbothioamide?
The molecular formula of ((2-Aminoethyl)sulfanyl)carbothioamide is C3H8N2S2.
What is the molecular weight of ((2-Aminoethyl)sulfanyl)carbothioamide?
The molecular weight of ((2-Aminoethyl)sulfanyl)carbothioamide is 136.01 g/mol.
Where can I buy ((2-Aminoethyl)sulfanyl)carbothioamide?
You can request a quote for ((2-Aminoethyl)sulfanyl)carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ((2-Aminoethyl)sulfanyl)carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for ((2-Aminoethyl)sulfanyl)carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.