N-Allyl-N'-(2-(1,3-benzothiazol-2-yl)-2-cyanovinyl)thiourea
TL;DR: N-Allyl-N'-(2-(1,3-benzothiazol-2-yl)-2-cyanovinyl)thiourea (CAS 4927-55-3) is a chemical compound with molecular formula C14H12N4S2 and molecular weight 300.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-3-prop-2-enylthiourea
Also Known As: N-Allyl-N'-(2-(1,3-benzothiazol-2-yl)-2-cyanovinyl)thiourea, 1-allyl-3-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]thiourea, 3-(2-benzothiazol-2-yl-2-cyano-ethenyl)-1-prop-2-enyl-thiourea, 1-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-3-prop-2-enylthiourea
| Molecular Formula | C14H12N4S2 |
|---|---|
| Molecular Weight | 300.05 g/mol |
| LogP | 2.81088 |
| Topological Polar Surface Area | 60.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 300.05035 |
| Heavy Atoms | 20 |
| Complexity | 676.27734 |
Chemical Identifiers
| CAS Number | 4927-55-3 |
|---|---|
| SMILES | C=CCNC(=S)N/C=C(\C#N)/C1=NC2=CC=CC=C2S1 |
Product Overview
N-Allyl-N'-(2-(1,3-benzothiazol-2-yl)-2-cyanovinyl)thiourea (CAS 4927-55-3), with molecular formula C14H12N4S2 and molecular weight 300.05 g/mol. IUPAC: 1-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-3-prop-2-enylthiourea.
Chemical Property Profile of N-Allyl-N'-(2-(1,3-benzothiazol-2-yl)-2-cyanovinyl)thiourea
Property Insights of N-Allyl-N'-(2-(1,3-benzothiazol-2-yl)-2-cyanovinyl)thiourea
The XLogP value of 2.81088 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Allyl-N'-(2-(1,3-benzothiazol-2-yl)-2-cyanovinyl)thiourea. The TPSA of 60.74 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Allyl-N'-(2-(1,3-benzothiazol-2-yl)-2-cyanovinyl)thiourea. Following Lipinski's Rule of Five, N-Allyl-N'-(2-(1,3-benzothiazol-2-yl)-2-cyanovinyl)thiourea has 2 hydrogen bond donor(s) and 4 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 N-Allyl-N'-(2-(1,3-benzothiazol-2-yl)-2-cyanovinyl)thiourea?
The CAS number of N-Allyl-N'-(2-(1,3-benzothiazol-2-yl)-2-cyanovinyl)thiourea is 4927-55-3.
What is the molecular formula of N-Allyl-N'-(2-(1,3-benzothiazol-2-yl)-2-cyanovinyl)thiourea?
The molecular formula of N-Allyl-N'-(2-(1,3-benzothiazol-2-yl)-2-cyanovinyl)thiourea is C14H12N4S2.
What is the molecular weight of N-Allyl-N'-(2-(1,3-benzothiazol-2-yl)-2-cyanovinyl)thiourea?
The molecular weight of N-Allyl-N'-(2-(1,3-benzothiazol-2-yl)-2-cyanovinyl)thiourea is 300.05 g/mol.
Where can I buy N-Allyl-N'-(2-(1,3-benzothiazol-2-yl)-2-cyanovinyl)thiourea?
You can request a quote for N-Allyl-N'-(2-(1,3-benzothiazol-2-yl)-2-cyanovinyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Allyl-N'-(2-(1,3-benzothiazol-2-yl)-2-cyanovinyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for N-Allyl-N'-(2-(1,3-benzothiazol-2-yl)-2-cyanovinyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.