3-(Dimethylamino)-2-imino-3-(methylsulfanyl)butanenitrile
TL;DR: 3-(Dimethylamino)-2-imino-3-(methylsulfanyl)butanenitrile (CAS 64906-29-2) is a chemical compound with molecular formula C7H13N3S and molecular weight 171.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(dimethylamino)-2-methylsulfanylpropanimidoyl cyanide
Also Known As: 2-(dimethylamino)-2-methylsulfanylpropanimidoyl cyanide, 3-(Dimethylamino)-2-imino-3-(methylsulfanyl)butanenitrile
| Molecular Formula | C7H13N3S |
|---|---|
| Molecular Weight | 171.08 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 76.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 171.08302 |
| Heavy Atoms | 11 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 64906-29-2 |
|---|---|
| SMILES | CC(C(=N)C#N)(N(C)C)SC |
| InChIKey | KSJTWLXTOTZHAE-UHFFFAOYSA-N |
Product Overview
3-(Dimethylamino)-2-imino-3-(methylsulfanyl)butanenitrile (CAS 64906-29-2), with molecular formula C7H13N3S and molecular weight 171.08 g/mol. IUPAC: 2-(dimethylamino)-2-methylsulfanylpropanimidoyl cyanide.
Chemical Property Profile of 3-(Dimethylamino)-2-imino-3-(methylsulfanyl)butanenitrile
Property Insights of 3-(Dimethylamino)-2-imino-3-(methylsulfanyl)butanenitrile
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Dimethylamino)-2-imino-3-(methylsulfanyl)butanenitrile. The TPSA of 76.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Dimethylamino)-2-imino-3-(methylsulfanyl)butanenitrile. Following Lipinski's Rule of Five, 3-(Dimethylamino)-2-imino-3-(methylsulfanyl)butanenitrile has 1 hydrogen bond donor(s) and 4 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 3-(Dimethylamino)-2-imino-3-(methylsulfanyl)butanenitrile?
The CAS number of 3-(Dimethylamino)-2-imino-3-(methylsulfanyl)butanenitrile is 64906-29-2.
What is the molecular formula of 3-(Dimethylamino)-2-imino-3-(methylsulfanyl)butanenitrile?
The molecular formula of 3-(Dimethylamino)-2-imino-3-(methylsulfanyl)butanenitrile is C7H13N3S.
What is the molecular weight of 3-(Dimethylamino)-2-imino-3-(methylsulfanyl)butanenitrile?
The molecular weight of 3-(Dimethylamino)-2-imino-3-(methylsulfanyl)butanenitrile is 171.08 g/mol.
Where can I buy 3-(Dimethylamino)-2-imino-3-(methylsulfanyl)butanenitrile?
You can request a quote for 3-(Dimethylamino)-2-imino-3-(methylsulfanyl)butanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Dimethylamino)-2-imino-3-(methylsulfanyl)butanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(Dimethylamino)-2-imino-3-(methylsulfanyl)butanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.