3-Iminobutanethioamide
TL;DR: 3-Iminobutanethioamide (CAS 32081-55-3) is a chemical compound with molecular formula C4H8N2S and molecular weight 116.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-iminobutanethioamide
Also Known As: 3-Iminothiobutyramide, 3-iminobutanethioamide, Butyramide, 3-iminothio-, Butanethiol, 1,3-diimino-, 3-Iminobutanimidothioic acid #
| Molecular Formula | C4H8N2S |
|---|---|
| Molecular Weight | 116.04 g/mol |
| LogP | 0.70227 |
| Topological Polar Surface Area | 49.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 116.04082 |
| Heavy Atoms | 7 |
| Complexity | 85.862915 |
Chemical Identifiers
| CAS Number | 32081-55-3 |
|---|---|
| SMILES | CC(=N)CC(=S)N |
Product Overview
3-Iminobutanethioamide (CAS 32081-55-3), with molecular formula C4H8N2S and molecular weight 116.04 g/mol. IUPAC: 3-iminobutanethioamide.
Chemical Property Profile of 3-Iminobutanethioamide
Property Insights of 3-Iminobutanethioamide
The XLogP value of 0.70227 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Iminobutanethioamide. With a topological polar surface area (TPSA) of 49.87 Ų, 3-Iminobutanethioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Iminobutanethioamide has 2 hydrogen bond donor(s) and 2 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 3-Iminobutanethioamide?
The CAS number of 3-Iminobutanethioamide is 32081-55-3.
What is the molecular formula of 3-Iminobutanethioamide?
The molecular formula of 3-Iminobutanethioamide is C4H8N2S.
What is the molecular weight of 3-Iminobutanethioamide?
The molecular weight of 3-Iminobutanethioamide is 116.04 g/mol.
Where can I buy 3-Iminobutanethioamide?
You can request a quote for 3-Iminobutanethioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Iminobutanethioamide?
Yes, KEHONG BIO provides custom synthesis services for 3-Iminobutanethioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.