RefChem:332778
TL;DR: RefChem:332778 (CAS 69195-78-4) is a chemical compound with molecular formula C15H14Cl2N2S2 and molecular weight 355.99756 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[amino-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)sulfanyl]methylidene]azanium chloride
Also Known As: S-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)isothiuronium chloride monohydrate, Carbamimidothioic acid, 8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl ester, hydrochloride,hydrate (1:1:1), [Amino-[(8-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)sulfanyl]methylidene]azaniumchloride, CARBAMIMIDOTHIOIC ACID, 8-CHLORO-10,11-DIHYDRODIBENZO(b,f)THIEPIN-10-YL ESTER, H, [amino-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)sulfanyl]methylidene]azanium chloride
Technical Specifications
| Molecular Formula | C15H14Cl2N2S2 |
| Molecular Weight | 355.99756 g/mol |
| XLogP | -0.1 |
| Topological Polar Surface Area (TPSA) | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 355.99756 Da |
| Heavy Atoms | 21 |
| Complexity | 360.0 |
| SMILES | C1C(C2=C(C=CC(=C2)Cl)SC3=CC=CC=C31)SC(=[NH2+])N.[Cl-] |
| InChIKey | CXZMSYAHZUOULM-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:332778
Property Insights of RefChem:332778
The XLogP value of -0.1 indicates that RefChem:332778 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:332778. Following Lipinski's Rule of Five, RefChem:332778 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:332778?
The CAS number of RefChem:332778 is 69195-78-4.
What is the molecular formula of RefChem:332778?
The molecular formula of RefChem:332778 is C15H14Cl2N2S2.
What is the molecular weight of RefChem:332778?
The molecular weight of RefChem:332778 is 355.99756 g/mol.
Where can I buy RefChem:332778?
You can request a quote for RefChem:332778 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:332778?
Yes, CoreyChem provides custom synthesis services for RefChem:332778 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.