Thiourea, N-2-benzothiazolyl-N'-(2-phenylethyl)-
TL;DR: Thiourea, N-2-benzothiazolyl-N'-(2-phenylethyl)- (CAS 149485-21-2) is a chemical compound with molecular formula C16H15N3S2 and molecular weight 313.07 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-(2-phenylethyl)thiourea
Also Known As: PETT Analog 54, PETT Bzthiazol deriv., Thiourea, N-2-benzothiazolyl-N'-(2-phenylethyl)-, 1-Benzothiazol-2-yl-3-phenethyl-thiourea, 1-Phenethyl-3-(benzothiazol-2-yl)thiourea
| Molecular Formula | C16H15N3S2 |
|---|---|
| Molecular Weight | 313.07 g/mol |
| LogP | 3.8254 |
| Topological Polar Surface Area | 36.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.07074 |
| Heavy Atoms | 21 |
| Complexity | 704.3766 |
Chemical Identifiers
| CAS Number | 149485-21-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCNC(=S)NC2=NC3=CC=CC=C3S2 |
Product Overview
Thiourea, N-2-benzothiazolyl-N'-(2-phenylethyl)- (CAS 149485-21-2), with molecular formula C16H15N3S2 and molecular weight 313.07 g/mol. IUPAC: 1-(1,3-benzothiazol-2-yl)-3-(2-phenylethyl)thiourea.
Chemical Property Profile of Thiourea, N-2-benzothiazolyl-N'-(2-phenylethyl)-
Property Insights of Thiourea, N-2-benzothiazolyl-N'-(2-phenylethyl)-
The XLogP value of 3.8254 indicates that Thiourea, N-2-benzothiazolyl-N'-(2-phenylethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.95 Ų, Thiourea, N-2-benzothiazolyl-N'-(2-phenylethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thiourea, N-2-benzothiazolyl-N'-(2-phenylethyl)- 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 Thiourea, N-2-benzothiazolyl-N'-(2-phenylethyl)-?
The CAS number of Thiourea, N-2-benzothiazolyl-N'-(2-phenylethyl)- is 149485-21-2.
What is the molecular formula of Thiourea, N-2-benzothiazolyl-N'-(2-phenylethyl)-?
The molecular formula of Thiourea, N-2-benzothiazolyl-N'-(2-phenylethyl)- is C16H15N3S2.
What is the molecular weight of Thiourea, N-2-benzothiazolyl-N'-(2-phenylethyl)-?
The molecular weight of Thiourea, N-2-benzothiazolyl-N'-(2-phenylethyl)- is 313.07 g/mol.
Where can I buy Thiourea, N-2-benzothiazolyl-N'-(2-phenylethyl)-?
You can request a quote for Thiourea, N-2-benzothiazolyl-N'-(2-phenylethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiourea, N-2-benzothiazolyl-N'-(2-phenylethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Thiourea, N-2-benzothiazolyl-N'-(2-phenylethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.