RefChem:332777
TL;DR: RefChem:332777 (CAS 73150-16-0) is a chemical compound with molecular formula C15H15ClN2S2 and molecular weight 322.03653 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[amino(6,11-dihydrobenzo[c][1]benzothiepin-11-ylsulfanyl)methylidene]azanium chloride
Also Known As: S-(6,11-Dihydrodibenzo(b,e)thiepin-11-yl)isothiourea hydrochloride, Carbamimidothioic acid, 6,11-dihydrodibenzo(b,e)thiepin-11-yl ester, monohydrochloride, [Amino(6,11-dihydrobenzo[c][1]benzothiepin-11-ylsulfanyl)methylidene]azaniumchloride, [amino(6,11-dihydrobenzo[c][1]benzothiepin-11-ylsulfanyl)methylidene]azanium chloride, CARBAMIMIDOTHIOIC ACID, 6,11-DIHYDRODIBENZO(b,e)THIEPIN-11-YL ESTER, MONOHYDROCH
Technical Specifications
| Molecular Formula | C15H15ClN2S2 |
| Molecular Weight | 322.03653 g/mol |
| XLogP | -0.81 |
| Topological Polar Surface Area (TPSA) | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 322.03653 Da |
| Heavy Atoms | 20 |
| Complexity | 329.0 |
| SMILES | C1C2=CC=CC=C2C(C3=CC=CC=C3S1)SC(=[NH2+])N.[Cl-] |
| InChIKey | BMJXLWFWLVGIME-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:332777
Property Insights of RefChem:332777
The XLogP value of -0.81 indicates that RefChem:332777 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:332777. Following Lipinski's Rule of Five, RefChem:332777 has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:332777?
The CAS number of RefChem:332777 is 73150-16-0.
What is the molecular formula of RefChem:332777?
The molecular formula of RefChem:332777 is C15H15ClN2S2.
What is the molecular weight of RefChem:332777?
The molecular weight of RefChem:332777 is 322.03653 g/mol.
Where can I buy RefChem:332777?
You can request a quote for RefChem:332777 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:332777?
Yes, CoreyChem provides custom synthesis services for RefChem:332777 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.