![methyl N-[1-(1H-pyrrol-2-yl)ethylideneamino]carbamodithioate structure](/static/products/857/85748-37-4.png)
methyl N-[1-(1H-pyrrol-2-yl)ethylideneamino]carbamodithioate
TL;DR: methyl N-[1-(1H-pyrrol-2-yl)ethylideneamino]carbamodithioate (CAS 85748-37-4) is a chemical compound with molecular formula C8H11N3S2 and molecular weight 213.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-[1-(1H-pyrrol-2-yl)ethylideneamino]carbamodithioate
Also Known As: methyl N-[[(1Z)-1-pyrrol-2-ylideneethyl]amino]carbamodithioate
| Molecular Formula | C8H11N3S2 |
|---|---|
| Molecular Weight | 213.04 g/mol |
| LogP | 1.9762 |
| Topological Polar Surface Area | 40.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 213.03944 |
| Heavy Atoms | 13 |
| Complexity | 303.19885 |
Chemical Identifiers
| CAS Number | 85748-37-4 |
|---|---|
| SMILES | CC(=NNC(=S)SC)C1=CC=CN1 |
Product Overview
methyl N-[1-(1H-pyrrol-2-yl)ethylideneamino]carbamodithioate (CAS 85748-37-4), with molecular formula C8H11N3S2 and molecular weight 213.04 g/mol. IUPAC: methyl N-[1-(1H-pyrrol-2-yl)ethylideneamino]carbamodithioate.
Chemical Property Profile of methyl N-[1-(1H-pyrrol-2-yl)ethylideneamino]carbamodithioate
Property Insights of methyl N-[1-(1H-pyrrol-2-yl)ethylideneamino]carbamodithioate
The XLogP value of 1.9762 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N-[1-(1H-pyrrol-2-yl)ethylideneamino]carbamodithioate. With a topological polar surface area (TPSA) of 40.18 Ų, methyl N-[1-(1H-pyrrol-2-yl)ethylideneamino]carbamodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl N-[1-(1H-pyrrol-2-yl)ethylideneamino]carbamodithioate has 2 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 methyl N-[1-(1H-pyrrol-2-yl)ethylideneamino]carbamodithioate?
The CAS number of methyl N-[1-(1H-pyrrol-2-yl)ethylideneamino]carbamodithioate is 85748-37-4.
What is the molecular formula of methyl N-[1-(1H-pyrrol-2-yl)ethylideneamino]carbamodithioate?
The molecular formula of methyl N-[1-(1H-pyrrol-2-yl)ethylideneamino]carbamodithioate is C8H11N3S2.
What is the molecular weight of methyl N-[1-(1H-pyrrol-2-yl)ethylideneamino]carbamodithioate?
The molecular weight of methyl N-[1-(1H-pyrrol-2-yl)ethylideneamino]carbamodithioate is 213.04 g/mol.
Where can I buy methyl N-[1-(1H-pyrrol-2-yl)ethylideneamino]carbamodithioate?
You can request a quote for methyl N-[1-(1H-pyrrol-2-yl)ethylideneamino]carbamodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl N-[1-(1H-pyrrol-2-yl)ethylideneamino]carbamodithioate?
Yes, KEHONG BIO provides custom synthesis services for methyl N-[1-(1H-pyrrol-2-yl)ethylideneamino]carbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.