Pmc-S-methylisothiourea
TL;DR: Pmc-S-methylisothiourea (CAS 185674-98-0) is a chemical compound with molecular formula C16H24N2O3S2 and molecular weight 356.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N'-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)sulfonyl]carbamimidothioate
Also Known As: Pmc-S-methylisothiourea, PMC-MIT, methyl N'-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)sulfonyl]carbamimidothioate, methyl n-[(2,2,5,7,8-pentamethyl-3,4-dihydro-2h-chromen-6-yl)sulfonyl]imidothiocarbamate
| Molecular Formula | C16H24N2O3S2 |
|---|---|
| Molecular Weight | 356.12 g/mol |
| LogP | 3.08186 |
| Topological Polar Surface Area | 81.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 356.12283 |
| Heavy Atoms | 23 |
| Complexity | 781.2505 |
Chemical Identifiers
| CAS Number | 185674-98-0 |
|---|---|
| SMILES | CC1=C(C(=C(C2=C1OC(CC2)(C)C)C)S(=O)(=O)N=C(N)SC)C |
Product Overview
Pmc-S-methylisothiourea (CAS 185674-98-0), with molecular formula C16H24N2O3S2 and molecular weight 356.12 g/mol. IUPAC: methyl N'-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)sulfonyl]carbamimidothioate.
Chemical Property Profile of Pmc-S-methylisothiourea
Property Insights of Pmc-S-methylisothiourea
The XLogP value of 3.08186 indicates that Pmc-S-methylisothiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.75 Ų falls within the moderate polarity range, balancing permeability and solubility for Pmc-S-methylisothiourea. Following Lipinski's Rule of Five, Pmc-S-methylisothiourea 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 Pmc-S-methylisothiourea?
The CAS number of Pmc-S-methylisothiourea is 185674-98-0.
What is the molecular formula of Pmc-S-methylisothiourea?
The molecular formula of Pmc-S-methylisothiourea is C16H24N2O3S2.
What is the molecular weight of Pmc-S-methylisothiourea?
The molecular weight of Pmc-S-methylisothiourea is 356.12 g/mol.
Where can I buy Pmc-S-methylisothiourea?
You can request a quote for Pmc-S-methylisothiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pmc-S-methylisothiourea?
Yes, KEHONG BIO provides custom synthesis services for Pmc-S-methylisothiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.