N-(2-Methyl-6-benzothiazolyl)-Na(2)-2-propen-1-ylthiourea
TL;DR: N-(2-Methyl-6-benzothiazolyl)-Na(2)-2-propen-1-ylthiourea (CAS 161287-89-4) is a chemical compound with molecular formula C12H13N3S2 and molecular weight 263.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-methyl-1,3-benzothiazol-6-yl)-3-prop-2-enylthiourea
Also Known As: 1-(2-methyl-1,3-benzothiazol-6-yl)-3-prop-2-enylthiourea, N-(2-Methyl-6-benzothiazolyl)-N'-2-propen-1-ylthiourea, N-(2-Methyl-6-benzothiazolyl)-Na(2)-2-propen-1-ylthiourea, N-(2-Methyl-1,3-benzothiazol-6-yl)-N'-prop-2-en-1-ylthiourea
| Molecular Formula | C12H13N3S2 |
|---|---|
| Molecular Weight | 263.06 g/mol |
| LogP | 3.07712 |
| Topological Polar Surface Area | 36.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 263.05508 |
| Heavy Atoms | 17 |
| Complexity | 559.8761 |
Chemical Identifiers
| CAS Number | 161287-89-4 |
|---|---|
| SMILES | CC1=NC2=C(S1)C=C(C=C2)NC(=S)NCC=C |
Product Overview
N-(2-Methyl-6-benzothiazolyl)-Na(2)-2-propen-1-ylthiourea (CAS 161287-89-4), with molecular formula C12H13N3S2 and molecular weight 263.06 g/mol. IUPAC: 1-(2-methyl-1,3-benzothiazol-6-yl)-3-prop-2-enylthiourea.
Chemical Property Profile of N-(2-Methyl-6-benzothiazolyl)-Na(2)-2-propen-1-ylthiourea
Property Insights of N-(2-Methyl-6-benzothiazolyl)-Na(2)-2-propen-1-ylthiourea
The XLogP value of 3.07712 indicates that N-(2-Methyl-6-benzothiazolyl)-Na(2)-2-propen-1-ylthiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.95 Ų, N-(2-Methyl-6-benzothiazolyl)-Na(2)-2-propen-1-ylthiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-Methyl-6-benzothiazolyl)-Na(2)-2-propen-1-ylthiourea has 2 hydrogen bond donor(s) and 3 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-(2-Methyl-6-benzothiazolyl)-Na(2)-2-propen-1-ylthiourea?
The CAS number of N-(2-Methyl-6-benzothiazolyl)-Na(2)-2-propen-1-ylthiourea is 161287-89-4.
What is the molecular formula of N-(2-Methyl-6-benzothiazolyl)-Na(2)-2-propen-1-ylthiourea?
The molecular formula of N-(2-Methyl-6-benzothiazolyl)-Na(2)-2-propen-1-ylthiourea is C12H13N3S2.
What is the molecular weight of N-(2-Methyl-6-benzothiazolyl)-Na(2)-2-propen-1-ylthiourea?
The molecular weight of N-(2-Methyl-6-benzothiazolyl)-Na(2)-2-propen-1-ylthiourea is 263.06 g/mol.
Where can I buy N-(2-Methyl-6-benzothiazolyl)-Na(2)-2-propen-1-ylthiourea?
You can request a quote for N-(2-Methyl-6-benzothiazolyl)-Na(2)-2-propen-1-ylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-Methyl-6-benzothiazolyl)-Na(2)-2-propen-1-ylthiourea?
Yes, KEHONG BIO provides custom synthesis services for N-(2-Methyl-6-benzothiazolyl)-Na(2)-2-propen-1-ylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.