2-(4-Isothiocyanatophenyl)-6-methyl-1,3-benzothiazole
TL;DR: 2-(4-Isothiocyanatophenyl)-6-methyl-1,3-benzothiazole (CAS 38985-69-2) is a chemical compound with molecular formula C15H10N2S2 and molecular weight 282.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-isothiocyanatophenyl)-6-methyl-1,3-benzothiazole
Also Known As: 2-(4-isothiocyanatophenyl)-6-methyl-1,3-benzothiazole, 2-(4-Isothiocyanato-phenyl)-6-methyl-benzothiazole, Isothiocyanic Acid 2-Fluorophenyl Ester, Benzothiazole,2-(4-isothiocyanatophenyl)-6-methyl-, p-(6-Methyl-2-benzothiazolyl)phenyl Isothiocyanate; 2-(4-Isothiocyanatophenyl)-6-methylbenzothiazole
| Molecular Formula | C15H10N2S2 |
|---|---|
| Molecular Weight | 282.03 g/mol |
| LogP | 5.00602 |
| Topological Polar Surface Area | 25.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 282.02853 |
| Heavy Atoms | 19 |
| Complexity | 781.51575 |
Chemical Identifiers
| CAS Number | 38985-69-2 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N=C=S |
Product Overview
2-(4-Isothiocyanatophenyl)-6-methyl-1,3-benzothiazole (CAS 38985-69-2), with molecular formula C15H10N2S2 and molecular weight 282.03 g/mol. IUPAC: 2-(4-isothiocyanatophenyl)-6-methyl-1,3-benzothiazole.
Chemical Property Profile of 2-(4-Isothiocyanatophenyl)-6-methyl-1,3-benzothiazole
Property Insights of 2-(4-Isothiocyanatophenyl)-6-methyl-1,3-benzothiazole
The XLogP value of 5.00602 indicates that 2-(4-Isothiocyanatophenyl)-6-methyl-1,3-benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.25 Ų, 2-(4-Isothiocyanatophenyl)-6-methyl-1,3-benzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Isothiocyanatophenyl)-6-methyl-1,3-benzothiazole has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(4-Isothiocyanatophenyl)-6-methyl-1,3-benzothiazole?
The CAS number of 2-(4-Isothiocyanatophenyl)-6-methyl-1,3-benzothiazole is 38985-69-2.
What is the molecular formula of 2-(4-Isothiocyanatophenyl)-6-methyl-1,3-benzothiazole?
The molecular formula of 2-(4-Isothiocyanatophenyl)-6-methyl-1,3-benzothiazole is C15H10N2S2.
What is the molecular weight of 2-(4-Isothiocyanatophenyl)-6-methyl-1,3-benzothiazole?
The molecular weight of 2-(4-Isothiocyanatophenyl)-6-methyl-1,3-benzothiazole is 282.03 g/mol.
Where can I buy 2-(4-Isothiocyanatophenyl)-6-methyl-1,3-benzothiazole?
You can request a quote for 2-(4-Isothiocyanatophenyl)-6-methyl-1,3-benzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Isothiocyanatophenyl)-6-methyl-1,3-benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Isothiocyanatophenyl)-6-methyl-1,3-benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.