3-Allylcyanothiourea
TL;DR: 3-Allylcyanothiourea (CAS 41835-07-8) is a chemical compound with molecular formula C5H7N3S and molecular weight 141.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cyano-3-prop-2-enylthiourea
Also Known As: 3-allylcyanothiourea, 4-allyl-thioallophanonitrile, 1-cyano-3-prop-2-enylthiourea, 3-cyano-1-prop-2-enyl-thiourea
| Molecular Formula | C5H7N3S |
|---|---|
| Molecular Weight | 141.04 g/mol |
| LogP | 0.11758 |
| Topological Polar Surface Area | 47.85 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 141.03607 |
| Heavy Atoms | 9 |
| Complexity | 146.77232 |
Chemical Identifiers
| CAS Number | 41835-07-8 |
|---|---|
| SMILES | C=CCNC(=S)NC#N |
Product Overview
3-Allylcyanothiourea (CAS 41835-07-8), with molecular formula C5H7N3S and molecular weight 141.04 g/mol. IUPAC: 1-cyano-3-prop-2-enylthiourea.
Chemical Property Profile of 3-Allylcyanothiourea
Property Insights of 3-Allylcyanothiourea
The XLogP value of 0.11758 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Allylcyanothiourea. With a topological polar surface area (TPSA) of 47.85 Ų, 3-Allylcyanothiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Allylcyanothiourea 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-Allylcyanothiourea?
The CAS number of 3-Allylcyanothiourea is 41835-07-8.
What is the molecular formula of 3-Allylcyanothiourea?
The molecular formula of 3-Allylcyanothiourea is C5H7N3S.
What is the molecular weight of 3-Allylcyanothiourea?
The molecular weight of 3-Allylcyanothiourea is 141.04 g/mol.
Where can I buy 3-Allylcyanothiourea?
You can request a quote for 3-Allylcyanothiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Allylcyanothiourea?
Yes, KEHONG BIO provides custom synthesis services for 3-Allylcyanothiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.