1,2,5-Thia(s(iv))diazole, 3,4-dihydro-3,3-dimethyl-
TL;DR: 1,2,5-Thia(s(iv))diazole, 3,4-dihydro-3,3-dimethyl- (CAS 24692-45-3) is a chemical compound with molecular formula C4H8N2S and molecular weight 116.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethyl-1λ4-thia-2,5-diazacyclopenta-1,5-diene
Also Known As: 3,3-dimethyl-1, 1,2,5-Thia(s(iv))diazole, 3,4-dihydro-3,3-dimethyl-, 1,2,5-Thia(S(IV))diazole,3,4-dihydro-3,3-dimethyl-, 3,3-dimethyl-1, E4-thia-2,5-diazacyclopenta-1,5-diene
| Molecular Formula | C4H8N2S |
|---|---|
| Molecular Weight | 116.04 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 25.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 116.04082 |
| Heavy Atoms | 7 |
| Complexity | 133.0 |
Chemical Identifiers
| CAS Number | 24692-45-3 |
|---|---|
| SMILES | CC1(CN=S=N1)C |
| InChIKey | QZMOJOAMHHXLNC-UHFFFAOYSA-N |
Product Overview
1,2,5-Thia(s(iv))diazole, 3,4-dihydro-3,3-dimethyl- (CAS 24692-45-3), with molecular formula C4H8N2S and molecular weight 116.04 g/mol. IUPAC: 3,3-dimethyl-1λ4-thia-2,5-diazacyclopenta-1,5-diene.
Chemical Property Profile of 1,2,5-Thia(s(iv))diazole, 3,4-dihydro-3,3-dimethyl-
Property Insights of 1,2,5-Thia(s(iv))diazole, 3,4-dihydro-3,3-dimethyl-
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,5-Thia(s(iv))diazole, 3,4-dihydro-3,3-dimethyl-. With a topological polar surface area (TPSA) of 25.7 Ų, 1,2,5-Thia(s(iv))diazole, 3,4-dihydro-3,3-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,5-Thia(s(iv))diazole, 3,4-dihydro-3,3-dimethyl- 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 1,2,5-Thia(s(iv))diazole, 3,4-dihydro-3,3-dimethyl-?
The CAS number of 1,2,5-Thia(s(iv))diazole, 3,4-dihydro-3,3-dimethyl- is 24692-45-3.
What is the molecular formula of 1,2,5-Thia(s(iv))diazole, 3,4-dihydro-3,3-dimethyl-?
The molecular formula of 1,2,5-Thia(s(iv))diazole, 3,4-dihydro-3,3-dimethyl- is C4H8N2S.
What is the molecular weight of 1,2,5-Thia(s(iv))diazole, 3,4-dihydro-3,3-dimethyl-?
The molecular weight of 1,2,5-Thia(s(iv))diazole, 3,4-dihydro-3,3-dimethyl- is 116.04 g/mol.
Where can I buy 1,2,5-Thia(s(iv))diazole, 3,4-dihydro-3,3-dimethyl-?
You can request a quote for 1,2,5-Thia(s(iv))diazole, 3,4-dihydro-3,3-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,5-Thia(s(iv))diazole, 3,4-dihydro-3,3-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,2,5-Thia(s(iv))diazole, 3,4-dihydro-3,3-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.