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3-(Hydroxymethyl)benzo[d]thiazol-2(3H)-one
TL;DR: 3-(Hydroxymethyl)benzo[d]thiazol-2(3H)-one (CAS 72679-97-1) is a chemical compound with molecular formula C8H7NO2S and molecular weight 181.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(hydroxymethyl)-1,3-benzothiazol-2-one
Also Known As: 3-(HYDROXYMETHYL)-2-BENZOTHIAZOLINONE, 3-(Hydroxymethyl)benzo[d]thiazol-2(3H)-one, 3-(hydroxymethyl)-1,3-benzothiazol-2-one, 2(3H)-Benzothiazolone,3-(hydroxymethyl)-, 3- -2-BENZOTHIAZOLINONE
| Molecular Formula | C8H7NO2S |
|---|---|
| Molecular Weight | 181.02 g/mol |
| LogP | 1.0128 |
| Topological Polar Surface Area | 42.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 181.01974 |
| Heavy Atoms | 12 |
| Complexity | 457.27097 |
Chemical Identifiers
| CAS Number | 72679-97-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N(C(=O)S2)CO |
Product Overview
3-(Hydroxymethyl)benzo[d]thiazol-2(3H)-one (CAS 72679-97-1), with molecular formula C8H7NO2S and molecular weight 181.02 g/mol. IUPAC: 3-(hydroxymethyl)-1,3-benzothiazol-2-one.
Chemical Property Profile of 3-(Hydroxymethyl)benzo[d]thiazol-2(3H)-one
Property Insights of 3-(Hydroxymethyl)benzo[d]thiazol-2(3H)-one
The XLogP value of 1.0128 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Hydroxymethyl)benzo[d]thiazol-2(3H)-one. With a topological polar surface area (TPSA) of 42.23 Ų, 3-(Hydroxymethyl)benzo[d]thiazol-2(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Hydroxymethyl)benzo[d]thiazol-2(3H)-one 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 3-(Hydroxymethyl)benzo[d]thiazol-2(3H)-one?
The CAS number of 3-(Hydroxymethyl)benzo[d]thiazol-2(3H)-one is 72679-97-1.
What is the molecular formula of 3-(Hydroxymethyl)benzo[d]thiazol-2(3H)-one?
The molecular formula of 3-(Hydroxymethyl)benzo[d]thiazol-2(3H)-one is C8H7NO2S.
What is the molecular weight of 3-(Hydroxymethyl)benzo[d]thiazol-2(3H)-one?
The molecular weight of 3-(Hydroxymethyl)benzo[d]thiazol-2(3H)-one is 181.02 g/mol.
Where can I buy 3-(Hydroxymethyl)benzo[d]thiazol-2(3H)-one?
You can request a quote for 3-(Hydroxymethyl)benzo[d]thiazol-2(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Hydroxymethyl)benzo[d]thiazol-2(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(Hydroxymethyl)benzo[d]thiazol-2(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.