3-(Chloromethyl)-5-(dodecylsulfanyl)-2,3-dihydro-1,3,4-thiadiazole-2-thione
TL;DR: 3-(Chloromethyl)-5-(dodecylsulfanyl)-2,3-dihydro-1,3,4-thiadiazole-2-thione (CAS 128016-44-4) is a chemical compound with molecular formula C15H27ClN2S3 and molecular weight 366.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(chloromethyl)-5-dodecylsulfanyl-1,3,4-thiadiazole-2-thione
Also Known As: starbld0039687, 3-(Chloromethyl)-5-(dodecylsulfanyl)-2,3-dihydro-1,3,4-thiadiazole-2-thione, 3-(chloromethyl)-5-dodecylsulfanyl-1,3,4-thiadiazole-2-thione, 3-(Chloromethyl)-5-(dodecylthio)-1,3,4-thiadiazole-2(3H)-thione, 5-Dodecylthio-3-chloromethyl-1,3,4-thiadiazole-2(3H)-thione
| Molecular Formula | C15H27ClN2S3 |
|---|---|
| Molecular Weight | 366.10 g/mol |
| LogP | 6.88339 |
| Topological Polar Surface Area | 17.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 13 |
| Exact Mass | 366.10248 |
| Heavy Atoms | 21 |
| Complexity | 417.2964 |
Chemical Identifiers
| CAS Number | 128016-44-4 |
|---|---|
| SMILES | CCCCCCCCCCCCSC1=NN(C(=S)S1)CCl |
Product Overview
3-(Chloromethyl)-5-(dodecylsulfanyl)-2,3-dihydro-1,3,4-thiadiazole-2-thione (CAS 128016-44-4), with molecular formula C15H27ClN2S3 and molecular weight 366.10 g/mol. IUPAC: 3-(chloromethyl)-5-dodecylsulfanyl-1,3,4-thiadiazole-2-thione.
Chemical Property Profile of 3-(Chloromethyl)-5-(dodecylsulfanyl)-2,3-dihydro-1,3,4-thiadiazole-2-thione
Property Insights of 3-(Chloromethyl)-5-(dodecylsulfanyl)-2,3-dihydro-1,3,4-thiadiazole-2-thione
The XLogP value of 6.88339 indicates that 3-(Chloromethyl)-5-(dodecylsulfanyl)-2,3-dihydro-1,3,4-thiadiazole-2-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.82 Ų, 3-(Chloromethyl)-5-(dodecylsulfanyl)-2,3-dihydro-1,3,4-thiadiazole-2-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Chloromethyl)-5-(dodecylsulfanyl)-2,3-dihydro-1,3,4-thiadiazole-2-thione has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(Chloromethyl)-5-(dodecylsulfanyl)-2,3-dihydro-1,3,4-thiadiazole-2-thione?
The CAS number of 3-(Chloromethyl)-5-(dodecylsulfanyl)-2,3-dihydro-1,3,4-thiadiazole-2-thione is 128016-44-4.
What is the molecular formula of 3-(Chloromethyl)-5-(dodecylsulfanyl)-2,3-dihydro-1,3,4-thiadiazole-2-thione?
The molecular formula of 3-(Chloromethyl)-5-(dodecylsulfanyl)-2,3-dihydro-1,3,4-thiadiazole-2-thione is C15H27ClN2S3.
What is the molecular weight of 3-(Chloromethyl)-5-(dodecylsulfanyl)-2,3-dihydro-1,3,4-thiadiazole-2-thione?
The molecular weight of 3-(Chloromethyl)-5-(dodecylsulfanyl)-2,3-dihydro-1,3,4-thiadiazole-2-thione is 366.10 g/mol.
Where can I buy 3-(Chloromethyl)-5-(dodecylsulfanyl)-2,3-dihydro-1,3,4-thiadiazole-2-thione?
You can request a quote for 3-(Chloromethyl)-5-(dodecylsulfanyl)-2,3-dihydro-1,3,4-thiadiazole-2-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Chloromethyl)-5-(dodecylsulfanyl)-2,3-dihydro-1,3,4-thiadiazole-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-(Chloromethyl)-5-(dodecylsulfanyl)-2,3-dihydro-1,3,4-thiadiazole-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.