RefChem:1092515
TL;DR: RefChem:1092515 (CAS 869-48-7) is a chemical compound with molecular formula C7H11N3S2 and molecular weight 201.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(dimethylamino)-3-thiocyanatopropan-2-yl] thiocyanate
Also Known As: ((Dimethylamino)methyl)ethylene thiocyanate, 1-Dimethylamino-2,3-di(thiocyanato)propane, Thiocyanic acid, ((dimethylamino)methyl)ethylene ester, [1-(dimethylamino)-3-thiocyanatopropan-2-yl] thiocyanate, [2,3-BIS(CYANOSULFANYL)PROPYL]DIMETHYLAMINE
| Molecular Formula | C7H11N3S2 |
|---|---|
| Molecular Weight | 201.04 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 201.03944 |
| Heavy Atoms | 12 |
| Complexity | 209.0 |
Chemical Identifiers
| CAS Number | 869-48-7 |
|---|---|
| SMILES | CN(C)CC(CSC#N)SC#N |
| InChIKey | BBTGNBWDYMCHGL-UHFFFAOYSA-N |
Product Overview
RefChem:1092515 (CAS 869-48-7), with molecular formula C7H11N3S2 and molecular weight 201.04 g/mol. IUPAC: [1-(dimethylamino)-3-thiocyanatopropan-2-yl] thiocyanate.
Chemical Property Profile of RefChem:1092515
Property Insights of RefChem:1092515
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1092515. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1092515. Following Lipinski's Rule of Five, RefChem:1092515 has 0 hydrogen bond donor(s) and 5 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 RefChem:1092515?
The CAS number of RefChem:1092515 is 869-48-7.
What is the molecular formula of RefChem:1092515?
The molecular formula of RefChem:1092515 is C7H11N3S2.
What is the molecular weight of RefChem:1092515?
The molecular weight of RefChem:1092515 is 201.04 g/mol.
Where can I buy RefChem:1092515?
You can request a quote for RefChem:1092515 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1092515?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1092515 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.