3,4-二氯苄硫醇
TL;DR: 3,4-二氯苄硫醇 (CAS 36480-40-7) is a chemical compound with molecular formula C7H6Cl2S and molecular weight 191.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-二氯苄硫醇
(3,4-dichlorophenyl)methanethiol
Also Known As: 3,4-Dichlorobenzyl mercaptan, 3,4-Dichlorobenzenemethanethiol, (3,4-Dichlorophenyl)methanethiol, SEC-BUTYLAMINE, 3,4-Dichlorotoluene-alpha-thiol
| Molecular Formula | C7H6Cl2S |
|---|---|
| Molecular Weight | 191.96 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 1.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 191.95673 |
| Heavy Atoms | 10 |
| Complexity | 108.0 |
Chemical Identifiers
| CAS Number | 36480-40-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1CS)Cl)Cl |
| InChIKey | CEGBRSQPRQXALB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-二氯苄硫醇 (CAS 36480-40-7), with molecular formula C7H6Cl2S and molecular weight 191.96 g/mol. IUPAC: (3,4-dichlorophenyl)methanethiol.
Chemical Property Profile of 3,4-二氯苄硫醇
Property Insights of 3,4-二氯苄硫醇
The XLogP value of 3.7 indicates that 3,4-二氯苄硫醇 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 1.0 Ų, 3,4-二氯苄硫醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-二氯苄硫醇 has 1 hydrogen bond donor(s) and 1 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 3,4-二氯苄硫醇?
The CAS number of 3,4-二氯苄硫醇 is 36480-40-7.
What is the molecular formula of 3,4-二氯苄硫醇?
The molecular formula of 3,4-二氯苄硫醇 is C7H6Cl2S.
What is the molecular weight of 3,4-二氯苄硫醇?
The molecular weight of 3,4-二氯苄硫醇 is 191.96 g/mol.
Where can I buy 3,4-二氯苄硫醇?
You can request a quote for 3,4-二氯苄硫醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-二氯苄硫醇?
Yes, KEHONG BIO provides custom synthesis services for 3,4-二氯苄硫醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.