1-(3,4-Dimethoxyphenyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiourea
TL;DR: 1-(3,4-Dimethoxyphenyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiourea (CAS 701924-97-2) is a chemical compound with molecular formula C16H19N3O2S2 and molecular weight 349.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dimethoxyphenyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiourea
Also Known As: 1-(3,4-dimethoxyphenyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiourea, [(3,4-dimethoxyphenyl)amino](4,5,6,7-tetrahydrobenzothiazol-2-ylamino)methane- 1-thione
| Molecular Formula | C16H19N3O2S2 |
|---|---|
| Molecular Weight | 349.09 g/mol |
| LogP | 3.848 |
| Topological Polar Surface Area | 55.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 349.09186 |
| Heavy Atoms | 23 |
| Complexity | 691.84607 |
Chemical Identifiers
| CAS Number | 701924-97-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)NC(=S)NC2=NC3=C(S2)CCCC3)OC |
Product Overview
1-(3,4-Dimethoxyphenyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiourea (CAS 701924-97-2), with molecular formula C16H19N3O2S2 and molecular weight 349.09 g/mol. IUPAC: 1-(3,4-dimethoxyphenyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiourea.
Chemical Property Profile of 1-(3,4-Dimethoxyphenyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiourea
Property Insights of 1-(3,4-Dimethoxyphenyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiourea
The XLogP value of 3.848 indicates that 1-(3,4-Dimethoxyphenyl)-3-(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 55.41 Ų, 1-(3,4-Dimethoxyphenyl)-3-(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-(3,4-Dimethoxyphenyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiourea has 2 hydrogen bond donor(s) and 5 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-(3,4-Dimethoxyphenyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiourea?
The CAS number of 1-(3,4-Dimethoxyphenyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiourea is 701924-97-2.
What is the molecular formula of 1-(3,4-Dimethoxyphenyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiourea?
The molecular formula of 1-(3,4-Dimethoxyphenyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiourea is C16H19N3O2S2.
What is the molecular weight of 1-(3,4-Dimethoxyphenyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiourea?
The molecular weight of 1-(3,4-Dimethoxyphenyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiourea is 349.09 g/mol.
Where can I buy 1-(3,4-Dimethoxyphenyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiourea?
You can request a quote for 1-(3,4-Dimethoxyphenyl)-3-(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-(3,4-Dimethoxyphenyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-Dimethoxyphenyl)-3-(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.