双(S-甲基异硫脲鎓)硫酸盐
TL;DR: 双(S-甲基异硫脲鎓)硫酸盐 (CAS 867-44-7) is a chemical compound with molecular formula C4H14N4O4S3 and molecular weight 278.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
双(S-甲基异硫脲鎓)硫酸盐
methyl carbamimidothioate;sulfuric acid
Also Known As: S-Methylisothiourea hemisulfate, 2-Methyl-2-thiopseudourea sulfate, S-Methylisothiourea sulfate, 2-Methyl-2-thiopseudourea hemisulfate, S-Methyl-ITU
| Molecular Formula | C4H14N4O4S3 |
|---|---|
| Molecular Weight | 278.02 g/mol |
| LogP | -0.17 |
| Topological Polar Surface Area | 233.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 278.01773 |
| Heavy Atoms | 15 |
| Complexity | 124.0 |
Chemical Identifiers
| CAS Number | 867-44-7 |
|---|---|
| SMILES | CSC(=N)N.CSC(=N)N.OS(=O)(=O)O |
| InChIKey | BZZXQZOBAUXLHZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
双(S-甲基异硫脲鎓)硫酸盐 (CAS 867-44-7), with molecular formula C4H14N4O4S3 and molecular weight 278.02 g/mol. IUPAC: methyl carbamimidothioate;sulfuric acid.
Chemical Property Profile of 双(S-甲基异硫脲鎓)硫酸盐
Property Insights of 双(S-甲基异硫脲鎓)硫酸盐
The XLogP value of -0.17 indicates that 双(S-甲基异硫脲鎓)硫酸盐 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 233.0 Ų indicates high polarity, suggesting 双(S-甲基异硫脲鎓)硫酸盐 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 双(S-甲基异硫脲鎓)硫酸盐 has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 双(S-甲基异硫脲鎓)硫酸盐?
The CAS number of 双(S-甲基异硫脲鎓)硫酸盐 is 867-44-7.
What is the molecular formula of 双(S-甲基异硫脲鎓)硫酸盐?
The molecular formula of 双(S-甲基异硫脲鎓)硫酸盐 is C4H14N4O4S3.
What is the molecular weight of 双(S-甲基异硫脲鎓)硫酸盐?
The molecular weight of 双(S-甲基异硫脲鎓)硫酸盐 is 278.02 g/mol.
Where can I buy 双(S-甲基异硫脲鎓)硫酸盐?
You can request a quote for 双(S-甲基异硫脲鎓)硫酸盐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 双(S-甲基异硫脲鎓)硫酸盐?
Yes, KEHONG BIO provides custom synthesis services for 双(S-甲基异硫脲鎓)硫酸盐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.