C12H14ClNS.ClH
TL;DR: C12H14ClNS.ClH (CAS 7349-55-5) is a chemical compound with molecular formula C12H15Cl2NS and molecular weight 275.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(1-benzothiophen-3-yl)-2-chloroethyl]-dimethylazanium chloride
Also Known As: beta-Chloro-N,N-dimethylbenzo(b)thiophene-3-ethylamine hydrochloride, BENZO(b)THIOPHENE-3-ETHYLAMINE, beta-CHLORO-N,N-DIMETHYL-, HYDROCHLORIDE, [2-(1-benzothiophen-3-yl)-2-chloroethyl]-dimethylazanium chloride, Benzo[b]thiophene-3-ethanamine, .beta.-chloro-N,N-dimethyl-, hydrochloride, 2-(1-Benzothiophen-3-yl)-2-chloro-N,N-dimethylethan-1-amine--hydrogen chloride (1/1)
| Molecular Formula | C12H15Cl2NS |
|---|---|
| Molecular Weight | 275.03 g/mol |
| LogP | -0.67 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 275.0302 |
| Heavy Atoms | 16 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 7349-55-5 |
|---|---|
| SMILES | C[NH+](C)CC(C1=CSC2=CC=CC=C21)Cl.[Cl-] |
| InChIKey | HWDWGXFYBUQBLT-UHFFFAOYSA-N |
Product Overview
C12H14ClNS.ClH (CAS 7349-55-5), with molecular formula C12H15Cl2NS and molecular weight 275.03 g/mol. IUPAC: [2-(1-benzothiophen-3-yl)-2-chloroethyl]-dimethylazanium chloride.
Chemical Property Profile of C12H14ClNS.ClH
Property Insights of C12H14ClNS.ClH
The XLogP value of -0.67 indicates that C12H14ClNS.ClH is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 32.7 Ų, C12H14ClNS.ClH exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C12H14ClNS.ClH has 1 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 C12H14ClNS.ClH?
The CAS number of C12H14ClNS.ClH is 7349-55-5.
What is the molecular formula of C12H14ClNS.ClH?
The molecular formula of C12H14ClNS.ClH is C12H15Cl2NS.
What is the molecular weight of C12H14ClNS.ClH?
The molecular weight of C12H14ClNS.ClH is 275.03 g/mol.
Where can I buy C12H14ClNS.ClH?
You can request a quote for C12H14ClNS.ClH directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C12H14ClNS.ClH?
Yes, KEHONG BIO provides custom synthesis services for C12H14ClNS.ClH and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.