(3,4-二氢-2H-1-苯并硫代吡喃-4-基)氯化铵
TL;DR: (3,4-二氢-2H-1-苯并硫代吡喃-4-基)氯化铵 (CAS 15857-70-2) is a chemical compound with molecular formula C9H12ClNS and molecular weight 201.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,4-二氢-2H-1-苯并硫代吡喃-4-基)氯化铵
3,4-dihydro-2H-thiochromen-4-amine;hydrochloride
Also Known As: Thiochroman-4-amine hydrochloride, thiochroman-4-aminium chloride, (R)-thiochroman-4-amine hydrochloride, thiochroman-4-amine;hydrochloride, (R)-thiochroman-4-aminehydrochloride
| Molecular Formula | C9H12ClNS |
|---|---|
| Molecular Weight | 201.04 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 51.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 201.0379 |
| Heavy Atoms | 12 |
| Complexity | 138.0 |
Chemical Identifiers
| CAS Number | 15857-70-2 |
|---|---|
| SMILES | C1CSC2=CC=CC=C2C1N.Cl |
| InChIKey | TXPWNJPROMVYBG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(3,4-二氢-2H-1-苯并硫代吡喃-4-基)氯化铵 (CAS 15857-70-2), with molecular formula C9H12ClNS and molecular weight 201.04 g/mol. IUPAC: 3,4-dihydro-2H-thiochromen-4-amine;hydrochloride.
Chemical Property Profile of (3,4-二氢-2H-1-苯并硫代吡喃-4-基)氯化铵
Property Insights of (3,4-二氢-2H-1-苯并硫代吡喃-4-基)氯化铵
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3,4-二氢-2H-1-苯并硫代吡喃-4-基)氯化铵. With a topological polar surface area (TPSA) of 51.3 Ų, (3,4-二氢-2H-1-苯并硫代吡喃-4-基)氯化铵 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3,4-二氢-2H-1-苯并硫代吡喃-4-基)氯化铵 has 2 hydrogen bond donor(s) and 2 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 (3,4-二氢-2H-1-苯并硫代吡喃-4-基)氯化铵?
The CAS number of (3,4-二氢-2H-1-苯并硫代吡喃-4-基)氯化铵 is 15857-70-2.
What is the molecular formula of (3,4-二氢-2H-1-苯并硫代吡喃-4-基)氯化铵?
The molecular formula of (3,4-二氢-2H-1-苯并硫代吡喃-4-基)氯化铵 is C9H12ClNS.
What is the molecular weight of (3,4-二氢-2H-1-苯并硫代吡喃-4-基)氯化铵?
The molecular weight of (3,4-二氢-2H-1-苯并硫代吡喃-4-基)氯化铵 is 201.04 g/mol.
Where can I buy (3,4-二氢-2H-1-苯并硫代吡喃-4-基)氯化铵?
You can request a quote for (3,4-二氢-2H-1-苯并硫代吡喃-4-基)氯化铵 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3,4-二氢-2H-1-苯并硫代吡喃-4-基)氯化铵?
Yes, KEHONG BIO provides custom synthesis services for (3,4-二氢-2H-1-苯并硫代吡喃-4-基)氯化铵 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.