TL;DR: Ethane, 1,2-bis(2-bromoethylthio)- (CAS 63938-31-8) is a chemical compound with molecular formula C6H12Br2S2 and molecular weight 305.87473 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,2-bis(2-bromoethylsulfanyl)ethane
Also Known As: USAF uctl-904, 1,2-Bis(2-bromoethylthio)ethane, 1,2-BIS ETHANE, 1,8-dibromo-3,6-dithiaoctane, 1,2-bis(2-bromoethylsulfanyl)ethane
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C6H12Br2S2 |
| Molecular Weight | 305.87473 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 307.87268 Da |
| Heavy Atoms | 10 |
| Complexity | 53.0 |
| SMILES | C(CSCCBr)SCCBr |
| InChIKey | BYFDQYYQTOBXJG-UHFFFAOYSA-N |
The XLogP value of 3.0 indicates that Ethane, 1,2-bis(2-bromoethylthio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.6 Ų, Ethane, 1,2-bis(2-bromoethylthio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethane, 1,2-bis(2-bromoethylthio)- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Ethane, 1,2-bis(2-bromoethylthio)- is 63938-31-8.
The molecular formula of Ethane, 1,2-bis(2-bromoethylthio)- is C6H12Br2S2.
The molecular weight of Ethane, 1,2-bis(2-bromoethylthio)- is 305.87473 g/mol.
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