2-Butenethioamide,3-amino-
TL;DR: 2-Butenethioamide,3-amino- (CAS 62069-87-8) 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-aminobut-2-enethioamide
Also Known As: 3-aminobut-2-enethioamide, 2-Butenethioamide,3-amino-, (Z)-3-aminobut-2-enethioamide
| Molecular Formula | C4H8N2S |
|---|---|
| Molecular Weight | 116.04 g/mol |
| LogP | 0.135 |
| Topological Polar Surface Area | 52.04 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 116.04082 |
| Heavy Atoms | 7 |
| Complexity | 102.25742 |
Chemical Identifiers
| CAS Number | 62069-87-8 |
|---|---|
| SMILES | CC(=CC(=S)N)N |
Product Overview
2-Butenethioamide,3-amino- (CAS 62069-87-8), with molecular formula C4H8N2S and molecular weight 116.04 g/mol. IUPAC: 3-aminobut-2-enethioamide.
Chemical Property Profile of 2-Butenethioamide,3-amino-
Property Insights of 2-Butenethioamide,3-amino-
The XLogP value of 0.135 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butenethioamide,3-amino-. With a topological polar surface area (TPSA) of 52.04 Ų, 2-Butenethioamide,3-amino- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butenethioamide,3-amino- 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 2-Butenethioamide,3-amino-?
The CAS number of 2-Butenethioamide,3-amino- is 62069-87-8.
What is the molecular formula of 2-Butenethioamide,3-amino-?
The molecular formula of 2-Butenethioamide,3-amino- is C4H8N2S.
What is the molecular weight of 2-Butenethioamide,3-amino-?
The molecular weight of 2-Butenethioamide,3-amino- is 116.04 g/mol.
Where can I buy 2-Butenethioamide,3-amino-?
You can request a quote for 2-Butenethioamide,3-amino- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butenethioamide,3-amino-?
Yes, KEHONG BIO provides custom synthesis services for 2-Butenethioamide,3-amino- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.