1-异硫氰基-6-甲亚磺酰基己烷
TL;DR: 1-异硫氰基-6-甲亚磺酰基己烷 (CAS 4430-35-7) is a chemical compound with molecular formula C8H15NOS2 and molecular weight 205.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-异硫氰基-6-甲亚磺酰基己烷
1-isothiocyanato-6-methylsulfinylhexane
Also Known As: Hesperin, 6-methylsulfinylhexyl isothiocyanate, 6-MITC, 6-(methylsulfinyl)hexyl isothiocyanate, 6-MeSC6 isothiocyanate
| Molecular Formula | C8H15NOS2 |
|---|---|
| Molecular Weight | 205.06 g/mol |
| LogP | 2.0281 |
| Topological Polar Surface Area | 29.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 205.05951 |
| Heavy Atoms | 12 |
| Complexity | 169.89667 |
Chemical Identifiers
| CAS Number | 4430-35-7 |
|---|---|
| SMILES | CS(=O)CCCCCCN=C=S |
Product Overview
1-异硫氰基-6-甲亚磺酰基己烷 (CAS 4430-35-7), with molecular formula C8H15NOS2 and molecular weight 205.06 g/mol. IUPAC: 1-isothiocyanato-6-methylsulfinylhexane.
Chemical Property Profile of 1-异硫氰基-6-甲亚磺酰基己烷
Property Insights of 1-异硫氰基-6-甲亚磺酰基己烷
The XLogP value of 2.0281 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-异硫氰基-6-甲亚磺酰基己烷. With a topological polar surface area (TPSA) of 29.43 Ų, 1-异硫氰基-6-甲亚磺酰基己烷 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-异硫氰基-6-甲亚磺酰基己烷 has 0 hydrogen bond donor(s) and 3 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 1-异硫氰基-6-甲亚磺酰基己烷?
The CAS number of 1-异硫氰基-6-甲亚磺酰基己烷 is 4430-35-7.
What is the molecular formula of 1-异硫氰基-6-甲亚磺酰基己烷?
The molecular formula of 1-异硫氰基-6-甲亚磺酰基己烷 is C8H15NOS2.
What is the molecular weight of 1-异硫氰基-6-甲亚磺酰基己烷?
The molecular weight of 1-异硫氰基-6-甲亚磺酰基己烷 is 205.06 g/mol.
Where can I buy 1-异硫氰基-6-甲亚磺酰基己烷?
You can request a quote for 1-异硫氰基-6-甲亚磺酰基己烷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-异硫氰基-6-甲亚磺酰基己烷?
Yes, KEHONG BIO provides custom synthesis services for 1-异硫氰基-6-甲亚磺酰基己烷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.