![1-[(4-chlorophenyl)methyl]-3-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiourea structure](/static/products/7019/701971-23-5.webp)
1-[(4-chlorophenyl)methyl]-3-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiourea
TL;DR: 1-[(4-chlorophenyl)methyl]-3-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiourea (CAS 701971-23-5) is a chemical compound with molecular formula C16H18ClN3S2 and molecular weight 351.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-chlorophenyl)methyl]-3-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiourea
Also Known As: 1-[(4-chlorophenyl)methyl]-3-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiourea, 1-(4-chlorobenzyl)-3-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiourea, {[(4-chlorophenyl)methyl]amino}[(6-methyl(4,5,6,7-tetrahydrobenzothiazol-2-yl) )amino]methane-1-thione
| Molecular Formula | C16H18ClN3S2 |
|---|---|
| Molecular Weight | 351.06 g/mol |
| LogP | 4.4079 |
| Topological Polar Surface Area | 36.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 351.06308 |
| Heavy Atoms | 22 |
| Complexity | 666.53046 |
Chemical Identifiers
| CAS Number | 701971-23-5 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=N2)NC(=S)NCC3=CC=C(C=C3)Cl |
Product Overview
1-[(4-chlorophenyl)methyl]-3-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiourea (CAS 701971-23-5), with molecular formula C16H18ClN3S2 and molecular weight 351.06 g/mol. IUPAC: 1-[(4-chlorophenyl)methyl]-3-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiourea.
Chemical Property Profile of 1-[(4-chlorophenyl)methyl]-3-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiourea
Property Insights of 1-[(4-chlorophenyl)methyl]-3-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiourea
The XLogP value of 4.4079 indicates that 1-[(4-chlorophenyl)methyl]-3-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.95 Ų, 1-[(4-chlorophenyl)methyl]-3-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(4-chlorophenyl)methyl]-3-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiourea 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-[(4-chlorophenyl)methyl]-3-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiourea?
The CAS number of 1-[(4-chlorophenyl)methyl]-3-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiourea is 701971-23-5.
What is the molecular formula of 1-[(4-chlorophenyl)methyl]-3-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiourea?
The molecular formula of 1-[(4-chlorophenyl)methyl]-3-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiourea is C16H18ClN3S2.
What is the molecular weight of 1-[(4-chlorophenyl)methyl]-3-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiourea?
The molecular weight of 1-[(4-chlorophenyl)methyl]-3-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiourea is 351.06 g/mol.
Where can I buy 1-[(4-chlorophenyl)methyl]-3-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiourea?
You can request a quote for 1-[(4-chlorophenyl)methyl]-3-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(4-chlorophenyl)methyl]-3-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-[(4-chlorophenyl)methyl]-3-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.