S-Isopropyl-Isothiourea
TL;DR: S-Isopropyl-Isothiourea (CAS 6913-17-3) is a chemical compound with molecular formula C4H10N2S and molecular weight 118.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl carbamimidothioate
Also Known As: S-ISOPROPYL-ISOTHIOUREA, s-isopropylisothiourea, 2-isopropylisothiourea, propan-2-yl carbamimidothioate, S-isopropyl isothiourea
| Molecular Formula | C4H10N2S |
|---|---|
| Molecular Weight | 118.06 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 75.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 118.05647 |
| Heavy Atoms | 7 |
| Complexity | 70.0 |
Chemical Identifiers
| CAS Number | 6913-17-3 |
|---|---|
| SMILES | CC(C)SC(=N)N |
| InChIKey | XSSNABKEYXKKMK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
S-Isopropyl-Isothiourea (CAS 6913-17-3), with molecular formula C4H10N2S and molecular weight 118.06 g/mol. IUPAC: propan-2-yl carbamimidothioate.
Chemical Property Profile of S-Isopropyl-Isothiourea
Property Insights of S-Isopropyl-Isothiourea
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-Isopropyl-Isothiourea. The TPSA of 75.2 Ų falls within the moderate polarity range, balancing permeability and solubility for S-Isopropyl-Isothiourea. Following Lipinski's Rule of Five, S-Isopropyl-Isothiourea has 2 hydrogen bond donor(s) and 2 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-Isopropyl-Isothiourea?
The CAS number of S-Isopropyl-Isothiourea is 6913-17-3.
What is the molecular formula of S-Isopropyl-Isothiourea?
The molecular formula of S-Isopropyl-Isothiourea is C4H10N2S.
What is the molecular weight of S-Isopropyl-Isothiourea?
The molecular weight of S-Isopropyl-Isothiourea is 118.06 g/mol.
Where can I buy S-Isopropyl-Isothiourea?
You can request a quote for S-Isopropyl-Isothiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-Isopropyl-Isothiourea?
Yes, KEHONG BIO provides custom synthesis services for S-Isopropyl-Isothiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.