1-(1-Methyl-1-oxo-1,2-benzothiazol-3-ylidene)-3-prop-2-enylthiourea
TL;DR: 1-(1-Methyl-1-oxo-1,2-benzothiazol-3-ylidene)-3-prop-2-enylthiourea (CAS 58099-02-8) is a chemical compound with molecular formula C12H13N3OS2 and molecular weight 279.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-methyl-1-oxo-1,2-benzothiazol-3-ylidene)-3-prop-2-enylthiourea
Also Known As: (1Z)-1-(1-methyl-1-oxo-1,2-benzothiazol-3-ylidene)-3-prop-2-, 1-(1-methyl-1-oxo-1,2-benzothiazol-3-ylidene)-3-prop-2-enylthiourea
| Molecular Formula | C12H13N3OS2 |
|---|---|
| Molecular Weight | 279.05 g/mol |
| LogP | 1.964 |
| Topological Polar Surface Area | 53.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 279.05002 |
| Heavy Atoms | 18 |
| Complexity | 655.0413 |
Chemical Identifiers
| CAS Number | 58099-02-8 |
|---|---|
| SMILES | CS1(=NC(=NC(=S)NCC=C)C2=CC=CC=C21)=O |
Product Overview
1-(1-Methyl-1-oxo-1,2-benzothiazol-3-ylidene)-3-prop-2-enylthiourea (CAS 58099-02-8), with molecular formula C12H13N3OS2 and molecular weight 279.05 g/mol. IUPAC: 1-(1-methyl-1-oxo-1,2-benzothiazol-3-ylidene)-3-prop-2-enylthiourea.
Chemical Property Profile of 1-(1-Methyl-1-oxo-1,2-benzothiazol-3-ylidene)-3-prop-2-enylthiourea
Property Insights of 1-(1-Methyl-1-oxo-1,2-benzothiazol-3-ylidene)-3-prop-2-enylthiourea
The XLogP value of 1.964 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1-Methyl-1-oxo-1,2-benzothiazol-3-ylidene)-3-prop-2-enylthiourea. With a topological polar surface area (TPSA) of 53.82 Ų, 1-(1-Methyl-1-oxo-1,2-benzothiazol-3-ylidene)-3-prop-2-enylthiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1-Methyl-1-oxo-1,2-benzothiazol-3-ylidene)-3-prop-2-enylthiourea has 1 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 1-(1-Methyl-1-oxo-1,2-benzothiazol-3-ylidene)-3-prop-2-enylthiourea?
The CAS number of 1-(1-Methyl-1-oxo-1,2-benzothiazol-3-ylidene)-3-prop-2-enylthiourea is 58099-02-8.
What is the molecular formula of 1-(1-Methyl-1-oxo-1,2-benzothiazol-3-ylidene)-3-prop-2-enylthiourea?
The molecular formula of 1-(1-Methyl-1-oxo-1,2-benzothiazol-3-ylidene)-3-prop-2-enylthiourea is C12H13N3OS2.
What is the molecular weight of 1-(1-Methyl-1-oxo-1,2-benzothiazol-3-ylidene)-3-prop-2-enylthiourea?
The molecular weight of 1-(1-Methyl-1-oxo-1,2-benzothiazol-3-ylidene)-3-prop-2-enylthiourea is 279.05 g/mol.
Where can I buy 1-(1-Methyl-1-oxo-1,2-benzothiazol-3-ylidene)-3-prop-2-enylthiourea?
You can request a quote for 1-(1-Methyl-1-oxo-1,2-benzothiazol-3-ylidene)-3-prop-2-enylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1-Methyl-1-oxo-1,2-benzothiazol-3-ylidene)-3-prop-2-enylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-Methyl-1-oxo-1,2-benzothiazol-3-ylidene)-3-prop-2-enylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.