S-(3,4-dihydroxyphenyl)-isothiourea
TL;DR: S-(3,4-dihydroxyphenyl)-isothiourea (CAS 46117-87-7) is a chemical compound with molecular formula C7H8N2O2S and molecular weight 184.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,4-dihydroxyphenyl) carbamimidothioate
Also Known As: S-(3,4-dihydroxyphenyl)-isothiourea, 3,4-dihydroxyphenyl carbamimidothioate, (3,4-dihydroxyphenyl) carbamimidothioate, (3,4-dihydroxyphenyl)sulfanylmethanimidamide
| Molecular Formula | C7H8N2O2S |
|---|---|
| Molecular Weight | 184.03 g/mol |
| LogP | 1.08337 |
| Topological Polar Surface Area | 90.33 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 184.03065 |
| Heavy Atoms | 12 |
| Complexity | 314.27472 |
Chemical Identifiers
| CAS Number | 46117-87-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1SC(=N)N)O)O |
Product Overview
S-(3,4-dihydroxyphenyl)-isothiourea (CAS 46117-87-7), with molecular formula C7H8N2O2S and molecular weight 184.03 g/mol. IUPAC: (3,4-dihydroxyphenyl) carbamimidothioate.
Chemical Property Profile of S-(3,4-dihydroxyphenyl)-isothiourea
Property Insights of S-(3,4-dihydroxyphenyl)-isothiourea
The XLogP value of 1.08337 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-(3,4-dihydroxyphenyl)-isothiourea. The TPSA of 90.33 Ų falls within the moderate polarity range, balancing permeability and solubility for S-(3,4-dihydroxyphenyl)-isothiourea. Following Lipinski's Rule of Five, S-(3,4-dihydroxyphenyl)-isothiourea has 4 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 S-(3,4-dihydroxyphenyl)-isothiourea?
The CAS number of S-(3,4-dihydroxyphenyl)-isothiourea is 46117-87-7.
What is the molecular formula of S-(3,4-dihydroxyphenyl)-isothiourea?
The molecular formula of S-(3,4-dihydroxyphenyl)-isothiourea is C7H8N2O2S.
What is the molecular weight of S-(3,4-dihydroxyphenyl)-isothiourea?
The molecular weight of S-(3,4-dihydroxyphenyl)-isothiourea is 184.03 g/mol.
Where can I buy S-(3,4-dihydroxyphenyl)-isothiourea?
You can request a quote for S-(3,4-dihydroxyphenyl)-isothiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(3,4-dihydroxyphenyl)-isothiourea?
Yes, KEHONG BIO provides custom synthesis services for S-(3,4-dihydroxyphenyl)-isothiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.