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[Amino(4-azaniumylbutylsulfanyl)methylidene]azanium dibromide
TL;DR: [Amino(4-azaniumylbutylsulfanyl)methylidene]azanium dibromide (CAS 102274-22-6) is a chemical compound with molecular formula C5H15Br2N3S and molecular weight 306.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[amino(4-azaniumylbutylsulfanyl)methylidene]azanium dibromide
Also Known As: S-(3-Aminobutyl)isothiourea dihydrobromide, CARBAMIMIDOTHIOIC ACID, 3-AMINOBUTYL ESTER, DIHYDROBROMIDE, [amino(4-azaniumylbutylsulfanyl)methylidene]azanium dibromide
| Molecular Formula | C5H15Br2N3S |
|---|---|
| Molecular Weight | 306.94 g/mol |
| LogP | -8.18 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 308.9333 |
| Heavy Atoms | 11 |
| Complexity | 78.0 |
Chemical Identifiers
| CAS Number | 102274-22-6 |
|---|---|
| SMILES | C(CCSC(=[NH2+])N)C[NH3+].[Br-].[Br-] |
| InChIKey | NICDYIQSKYACMJ-UHFFFAOYSA-N |
Product Overview
[Amino(4-azaniumylbutylsulfanyl)methylidene]azanium dibromide (CAS 102274-22-6), with molecular formula C5H15Br2N3S and molecular weight 306.94 g/mol. IUPAC: [amino(4-azaniumylbutylsulfanyl)methylidene]azanium dibromide.
Chemical Property Profile of [Amino(4-azaniumylbutylsulfanyl)methylidene]azanium dibromide
Property Insights of [Amino(4-azaniumylbutylsulfanyl)methylidene]azanium dibromide
The XLogP value of -8.18 indicates that [Amino(4-azaniumylbutylsulfanyl)methylidene]azanium dibromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [Amino(4-azaniumylbutylsulfanyl)methylidene]azanium dibromide. Following Lipinski's Rule of Five, [Amino(4-azaniumylbutylsulfanyl)methylidene]azanium dibromide has 3 hydrogen bond donor(s) and 3 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 [Amino(4-azaniumylbutylsulfanyl)methylidene]azanium dibromide?
The CAS number of [Amino(4-azaniumylbutylsulfanyl)methylidene]azanium dibromide is 102274-22-6.
What is the molecular formula of [Amino(4-azaniumylbutylsulfanyl)methylidene]azanium dibromide?
The molecular formula of [Amino(4-azaniumylbutylsulfanyl)methylidene]azanium dibromide is C5H15Br2N3S.
What is the molecular weight of [Amino(4-azaniumylbutylsulfanyl)methylidene]azanium dibromide?
The molecular weight of [Amino(4-azaniumylbutylsulfanyl)methylidene]azanium dibromide is 306.94 g/mol.
Where can I buy [Amino(4-azaniumylbutylsulfanyl)methylidene]azanium dibromide?
You can request a quote for [Amino(4-azaniumylbutylsulfanyl)methylidene]azanium dibromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [Amino(4-azaniumylbutylsulfanyl)methylidene]azanium dibromide?
Yes, KEHONG BIO provides custom synthesis services for [Amino(4-azaniumylbutylsulfanyl)methylidene]azanium dibromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.