2-Benzothiazolylthiourea
TL;DR: 2-Benzothiazolylthiourea (CAS 14294-12-3) is a chemical compound with molecular formula C8H7N3S2 and molecular weight 209.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzothiazol-2-ylthiourea
Also Known As: 2-Benzothiazolylthiourea, 1,3-benzothiazol-2-ylthiourea, 1-(benzo[d]thiazol-2-yl)thiourea, Thiourea, 2-benzothiazolyl- (9CI), N-1,3-Benzothiazol-2-ylthiourea
| Molecular Formula | C8H7N3S2 |
|---|---|
| Molecular Weight | 209.01 g/mol |
| LogP | 1.9518 |
| Topological Polar Surface Area | 50.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 209.00813 |
| Heavy Atoms | 13 |
| Complexity | 416.3408 |
Chemical Identifiers
| CAS Number | 14294-12-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)NC(=S)N |
Product Overview
2-Benzothiazolylthiourea (CAS 14294-12-3), with molecular formula C8H7N3S2 and molecular weight 209.01 g/mol. IUPAC: 1,3-benzothiazol-2-ylthiourea.
Chemical Property Profile of 2-Benzothiazolylthiourea
Property Insights of 2-Benzothiazolylthiourea
The XLogP value of 1.9518 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzothiazolylthiourea. With a topological polar surface area (TPSA) of 50.94 Ų, 2-Benzothiazolylthiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzothiazolylthiourea 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 2-Benzothiazolylthiourea?
The CAS number of 2-Benzothiazolylthiourea is 14294-12-3.
What is the molecular formula of 2-Benzothiazolylthiourea?
The molecular formula of 2-Benzothiazolylthiourea is C8H7N3S2.
What is the molecular weight of 2-Benzothiazolylthiourea?
The molecular weight of 2-Benzothiazolylthiourea is 209.01 g/mol.
Where can I buy 2-Benzothiazolylthiourea?
You can request a quote for 2-Benzothiazolylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzothiazolylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzothiazolylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.