S-(2-aminoethyl)methylisothiourea
TL;DR: S-(2-aminoethyl)methylisothiourea (CAS 44661-69-0) is a chemical compound with molecular formula C4H11N3S and molecular weight 133.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-aminoethyl N'-methylcarbamimidothioate
Also Known As: S-(2-aminoethyl)methylisothiourea, S-(2-amino-ethyl)-N-methyl-isothiourea, 1-Methyl-2-(2-aminoethyl)isothiourea, 2-aminoethyl N'-methylcarbamimidothioate, N-methyl[(2-aminoethyl)sulfanyl]methanimidamide
| Molecular Formula | C4H11N3S |
|---|---|
| Molecular Weight | 133.07 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 89.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 133.06737 |
| Heavy Atoms | 8 |
| Complexity | 81.0 |
Chemical Identifiers
| CAS Number | 44661-69-0 |
|---|---|
| SMILES | CN=C(N)SCCN |
| InChIKey | GAHPVJAEIDPDCX-UHFFFAOYSA-N |
Product Overview
S-(2-aminoethyl)methylisothiourea (CAS 44661-69-0), with molecular formula C4H11N3S and molecular weight 133.07 g/mol. IUPAC: 2-aminoethyl N'-methylcarbamimidothioate.
Chemical Property Profile of S-(2-aminoethyl)methylisothiourea
Property Insights of S-(2-aminoethyl)methylisothiourea
The XLogP value of -0.7 indicates that S-(2-aminoethyl)methylisothiourea is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 89.7 Ų falls within the moderate polarity range, balancing permeability and solubility for S-(2-aminoethyl)methylisothiourea. Following Lipinski's Rule of Five, S-(2-aminoethyl)methylisothiourea 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 S-(2-aminoethyl)methylisothiourea?
The CAS number of S-(2-aminoethyl)methylisothiourea is 44661-69-0.
What is the molecular formula of S-(2-aminoethyl)methylisothiourea?
The molecular formula of S-(2-aminoethyl)methylisothiourea is C4H11N3S.
What is the molecular weight of S-(2-aminoethyl)methylisothiourea?
The molecular weight of S-(2-aminoethyl)methylisothiourea is 133.07 g/mol.
Where can I buy S-(2-aminoethyl)methylisothiourea?
You can request a quote for S-(2-aminoethyl)methylisothiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(2-aminoethyl)methylisothiourea?
Yes, KEHONG BIO provides custom synthesis services for S-(2-aminoethyl)methylisothiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.