(2-Methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl)methanol
TL;DR: (2-Methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl)methanol (CAS 77528-65-5) is a chemical compound with molecular formula C9H13NOS and molecular weight 183.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl)methanol
Also Known As: EINECS 278-711-2, (2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl)methanol, 4,5,6,7-Tetrahydro-2-methylbenzothiazole-5-methanol, 5-Benzothiazolemethanol,4,5,6,7-tetrahydro-2-methyl-, 4,5,6,7-Tetrahydro-2-methyl-5-benzothiazolemethanol
| Molecular Formula | C9H13NOS |
|---|---|
| Molecular Weight | 183.07 g/mol |
| LogP | 1.54872 |
| Topological Polar Surface Area | 33.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 183.0718 |
| Heavy Atoms | 12 |
| Complexity | 282.05594 |
Chemical Identifiers
| CAS Number | 77528-65-5 |
|---|---|
| SMILES | CC1=NC2=C(S1)CCC(C2)CO |
Product Overview
(2-Methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl)methanol (CAS 77528-65-5), with molecular formula C9H13NOS and molecular weight 183.07 g/mol. IUPAC: (2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl)methanol.
Chemical Property Profile of (2-Methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl)methanol
Property Insights of (2-Methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl)methanol
The XLogP value of 1.54872 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl)methanol. With a topological polar surface area (TPSA) of 33.12 Ų, (2-Methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl)methanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-Methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl)methanol has 1 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-Methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl)methanol?
The CAS number of (2-Methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl)methanol is 77528-65-5.
What is the molecular formula of (2-Methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl)methanol?
The molecular formula of (2-Methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl)methanol is C9H13NOS.
What is the molecular weight of (2-Methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl)methanol?
The molecular weight of (2-Methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl)methanol is 183.07 g/mol.
Where can I buy (2-Methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl)methanol?
You can request a quote for (2-Methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl)methanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl)methanol?
Yes, KEHONG BIO provides custom synthesis services for (2-Methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl)methanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.