5-甲基-N-烯丙基-1,3,4-噻二唑-2-胺
TL;DR: 5-甲基-N-烯丙基-1,3,4-噻二唑-2-胺 (CAS 18390-20-0) is a chemical compound with molecular formula C6H9N3S and molecular weight 155.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-甲基-N-烯丙基-1,3,4-噻二唑-2-胺
5-methyl-N-prop-2-enyl-1,3,4-thiadiazol-2-amine
Also Known As: 5-methyl-N-prop-2-enyl-1,3,4-thiadiazol-2-amine, 1,3,4-Thiadiazole, 2-(allylamino)-5-methyl- (8CI), 2-allylamino-5-methyl-1,3,4-thiadiazole, 2-(Allylamino)-5-methyl-1,3,4-thiadiazole, J3.496.546C
| Molecular Formula | C6H9N3S |
|---|---|
| Molecular Weight | 155.05 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 155.05171 |
| Heavy Atoms | 10 |
| Complexity | 118.0 |
Chemical Identifiers
| CAS Number | 18390-20-0 |
|---|---|
| SMILES | CC1=NN=C(S1)NCC=C |
| InChIKey | XCPFHRXUZHWHOU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-甲基-N-烯丙基-1,3,4-噻二唑-2-胺 (CAS 18390-20-0), with molecular formula C6H9N3S and molecular weight 155.05 g/mol. IUPAC: 5-methyl-N-prop-2-enyl-1,3,4-thiadiazol-2-amine.
Chemical Property Profile of 5-甲基-N-烯丙基-1,3,4-噻二唑-2-胺
Property Insights of 5-甲基-N-烯丙基-1,3,4-噻二唑-2-胺
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-甲基-N-烯丙基-1,3,4-噻二唑-2-胺. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-甲基-N-烯丙基-1,3,4-噻二唑-2-胺. Following Lipinski's Rule of Five, 5-甲基-N-烯丙基-1,3,4-噻二唑-2-胺 has 1 hydrogen bond donor(s) and 4 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 5-甲基-N-烯丙基-1,3,4-噻二唑-2-胺?
The CAS number of 5-甲基-N-烯丙基-1,3,4-噻二唑-2-胺 is 18390-20-0.
What is the molecular formula of 5-甲基-N-烯丙基-1,3,4-噻二唑-2-胺?
The molecular formula of 5-甲基-N-烯丙基-1,3,4-噻二唑-2-胺 is C6H9N3S.
What is the molecular weight of 5-甲基-N-烯丙基-1,3,4-噻二唑-2-胺?
The molecular weight of 5-甲基-N-烯丙基-1,3,4-噻二唑-2-胺 is 155.05 g/mol.
Where can I buy 5-甲基-N-烯丙基-1,3,4-噻二唑-2-胺?
You can request a quote for 5-甲基-N-烯丙基-1,3,4-噻二唑-2-胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-甲基-N-烯丙基-1,3,4-噻二唑-2-胺?
Yes, KEHONG BIO provides custom synthesis services for 5-甲基-N-烯丙基-1,3,4-噻二唑-2-胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.