1-(1,3-Benzothiazol-2-yl)-3-propan-2-ylthiourea
TL;DR: 1-(1,3-Benzothiazol-2-yl)-3-propan-2-ylthiourea (CAS 121577-82-0) is a chemical compound with molecular formula C11H13N3S2 and molecular weight 251.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzothiazol-2-yl)-3-propan-2-ylthiourea
Also Known As: N1-(2-benzothiazolyl)-N2-isopropylthiourea, 3-benzothiazol-2-yl-1-propan-2-yl-thiourea
| Molecular Formula | C11H13N3S2 |
|---|---|
| Molecular Weight | 251.06 g/mol |
| LogP | 2.9911 |
| Topological Polar Surface Area | 36.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 251.05508 |
| Heavy Atoms | 16 |
| Complexity | 471.6539 |
Chemical Identifiers
| CAS Number | 121577-82-0 |
|---|---|
| SMILES | CC(C)NC(=S)NC1=NC2=CC=CC=C2S1 |
Product Overview
1-(1,3-Benzothiazol-2-yl)-3-propan-2-ylthiourea (CAS 121577-82-0), with molecular formula C11H13N3S2 and molecular weight 251.06 g/mol. IUPAC: 1-(1,3-benzothiazol-2-yl)-3-propan-2-ylthiourea.
Chemical Property Profile of 1-(1,3-Benzothiazol-2-yl)-3-propan-2-ylthiourea
Property Insights of 1-(1,3-Benzothiazol-2-yl)-3-propan-2-ylthiourea
The XLogP value of 2.9911 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1,3-Benzothiazol-2-yl)-3-propan-2-ylthiourea. With a topological polar surface area (TPSA) of 36.95 Ų, 1-(1,3-Benzothiazol-2-yl)-3-propan-2-ylthiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1,3-Benzothiazol-2-yl)-3-propan-2-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 1-(1,3-Benzothiazol-2-yl)-3-propan-2-ylthiourea?
The CAS number of 1-(1,3-Benzothiazol-2-yl)-3-propan-2-ylthiourea is 121577-82-0.
What is the molecular formula of 1-(1,3-Benzothiazol-2-yl)-3-propan-2-ylthiourea?
The molecular formula of 1-(1,3-Benzothiazol-2-yl)-3-propan-2-ylthiourea is C11H13N3S2.
What is the molecular weight of 1-(1,3-Benzothiazol-2-yl)-3-propan-2-ylthiourea?
The molecular weight of 1-(1,3-Benzothiazol-2-yl)-3-propan-2-ylthiourea is 251.06 g/mol.
Where can I buy 1-(1,3-Benzothiazol-2-yl)-3-propan-2-ylthiourea?
You can request a quote for 1-(1,3-Benzothiazol-2-yl)-3-propan-2-ylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,3-Benzothiazol-2-yl)-3-propan-2-ylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-Benzothiazol-2-yl)-3-propan-2-ylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.