Carbamimidothioic acid, C,C'-1,3-propanediyl ester, hydrobromide (1:2)
TL;DR: Carbamimidothioic acid, C,C'-1,3-propanediyl ester, hydrobromide (1:2) (CAS 5442-32-0) is a chemical compound with molecular formula C5H14Br2N4S2 and molecular weight 351.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-carbamimidoylsulfanylpropyl carbamimidothioate;dihydrobromide
Also Known As: Propane diisothiourea dihydrobromide, propanediisothioureadihydrobromide, AI3-62287, 2,2'-Trimethylenebis(2-thiopseudourea) dihydrobromide, 2,2'-Trimethylenebisisothiouronium dibromide
| Molecular Formula | C5H14Br2N4S2 |
|---|---|
| Molecular Weight | 351.90 g/mol |
| LogP | 1.79 |
| Topological Polar Surface Area | 150.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 353.9006 |
| Heavy Atoms | 13 |
| Complexity | 131.0 |
Chemical Identifiers
| CAS Number | 5442-32-0 |
|---|---|
| SMILES | C(CSC(=N)N)CSC(=N)N.Br.Br |
| InChIKey | VKQIPFNBHQJEQV-UHFFFAOYSA-N |
Product Overview
Carbamimidothioic acid, C,C'-1,3-propanediyl ester, hydrobromide (1:2) (CAS 5442-32-0), with molecular formula C5H14Br2N4S2 and molecular weight 351.90 g/mol. IUPAC: 3-carbamimidoylsulfanylpropyl carbamimidothioate;dihydrobromide.
Chemical Property Profile of Carbamimidothioic acid, C,C'-1,3-propanediyl ester, hydrobromide (1:2)
Property Insights of Carbamimidothioic acid, C,C'-1,3-propanediyl ester, hydrobromide (1:2)
The XLogP value of 1.79 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamimidothioic acid, C,C'-1,3-propanediyl ester, hydrobromide (1:2). The TPSA of 150.0 Ų indicates high polarity, suggesting Carbamimidothioic acid, C,C'-1,3-propanediyl ester, hydrobromide (1:2) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Carbamimidothioic acid, C,C'-1,3-propanediyl ester, hydrobromide (1:2) has 6 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Carbamimidothioic acid, C,C'-1,3-propanediyl ester, hydrobromide (1:2)?
The CAS number of Carbamimidothioic acid, C,C'-1,3-propanediyl ester, hydrobromide (1:2) is 5442-32-0.
What is the molecular formula of Carbamimidothioic acid, C,C'-1,3-propanediyl ester, hydrobromide (1:2)?
The molecular formula of Carbamimidothioic acid, C,C'-1,3-propanediyl ester, hydrobromide (1:2) is C5H14Br2N4S2.
What is the molecular weight of Carbamimidothioic acid, C,C'-1,3-propanediyl ester, hydrobromide (1:2)?
The molecular weight of Carbamimidothioic acid, C,C'-1,3-propanediyl ester, hydrobromide (1:2) is 351.90 g/mol.
Where can I buy Carbamimidothioic acid, C,C'-1,3-propanediyl ester, hydrobromide (1:2)?
You can request a quote for Carbamimidothioic acid, C,C'-1,3-propanediyl ester, hydrobromide (1:2) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamimidothioic acid, C,C'-1,3-propanediyl ester, hydrobromide (1:2)?
Yes, KEHONG BIO provides custom synthesis services for Carbamimidothioic acid, C,C'-1,3-propanediyl ester, hydrobromide (1:2) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.