1-Propene,1,2-dibromo-3-isothiocyanato-
TL;DR: 1-Propene,1,2-dibromo-3-isothiocyanato- (CAS 101670-66-0) is a chemical compound with molecular formula C4H3Br2NS and molecular weight 254.8353 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,2-dibromo-3-isothiocyanatoprop-1-ene
Also Known As: 2,3-Dibromoallyl isothiocyanate, 1-Propene,1,2-dibromo-3-isothiocyanato-, 1-Propene, 1,2-dibromo-3-isothiocyanato-, ISOTHIOCYANIC ACID, 2,3-DIBROMOALLYL ESTER
Technical Specifications
| Molecular Formula | C4H3Br2NS |
| Molecular Weight | 254.8353 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 44.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 256.83325 Da |
| Heavy Atoms | 8 |
| Complexity | 137.0 |
| SMILES | C(C(=CBr)Br)N=C=S |
| InChIKey | IKBZNDKOVJFTTO-UHFFFAOYSA-N |
Chemical Property Profile of 1-Propene,1,2-dibromo-3-isothiocyanato-
Property Insights of 1-Propene,1,2-dibromo-3-isothiocyanato-
The XLogP value of 3.2 indicates that 1-Propene,1,2-dibromo-3-isothiocyanato- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.5 Ų, 1-Propene,1,2-dibromo-3-isothiocyanato- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Propene,1,2-dibromo-3-isothiocyanato- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-Propene,1,2-dibromo-3-isothiocyanato-?
The CAS number of 1-Propene,1,2-dibromo-3-isothiocyanato- is 101670-66-0.
What is the molecular formula of 1-Propene,1,2-dibromo-3-isothiocyanato-?
The molecular formula of 1-Propene,1,2-dibromo-3-isothiocyanato- is C4H3Br2NS.
What is the molecular weight of 1-Propene,1,2-dibromo-3-isothiocyanato-?
The molecular weight of 1-Propene,1,2-dibromo-3-isothiocyanato- is 254.8353 g/mol.
Where can I buy 1-Propene,1,2-dibromo-3-isothiocyanato-?
You can request a quote for 1-Propene,1,2-dibromo-3-isothiocyanato- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Propene,1,2-dibromo-3-isothiocyanato-?
Yes, CoreyChem provides custom synthesis services for 1-Propene,1,2-dibromo-3-isothiocyanato- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.