methyl 2-(3,4-dihydro-2H-pyrrol-5-yl)hydrazinecarbodithioate
TL;DR: methyl 2-(3,4-dihydro-2H-pyrrol-5-yl)hydrazinecarbodithioate (CAS 140439-90-3) is a chemical compound with molecular formula C6H11N3S2 and molecular weight 189.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-(3,4-dihydro-2H-pyrrol-5-ylamino)carbamodithioate
Also Known As: methyl 2-(3,4-dihydro-2H-pyrrol-5-yl)hydrazinecarbodithioate, methyl N-(3,4-dihydro-2H-pyrrol-5-ylamino)carbamodithioate, F0832-0301, N'-(4,5-dihydro-3H-pyrrol-2-yl)-1-methylsulfanyl-methanethiohydrazide, N-{[(methylsulfanyl)methanethioyl]amino}-3,4-dihydro-2H-pyrrol-5-amine
| Molecular Formula | C6H11N3S2 |
|---|---|
| Molecular Weight | 189.04 g/mol |
| LogP | 0.9208 |
| Topological Polar Surface Area | 36.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 189.03944 |
| Heavy Atoms | 11 |
| Complexity | 178.66621 |
Chemical Identifiers
| CAS Number | 140439-90-3 |
|---|---|
| SMILES | CSC(=S)NNC1=NCCC1 |
Product Overview
methyl 2-(3,4-dihydro-2H-pyrrol-5-yl)hydrazinecarbodithioate (CAS 140439-90-3), with molecular formula C6H11N3S2 and molecular weight 189.04 g/mol. IUPAC: methyl N-(3,4-dihydro-2H-pyrrol-5-ylamino)carbamodithioate.
Chemical Property Profile of methyl 2-(3,4-dihydro-2H-pyrrol-5-yl)hydrazinecarbodithioate
Property Insights of methyl 2-(3,4-dihydro-2H-pyrrol-5-yl)hydrazinecarbodithioate
The XLogP value of 0.9208 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-(3,4-dihydro-2H-pyrrol-5-yl)hydrazinecarbodithioate. With a topological polar surface area (TPSA) of 36.42 Ų, methyl 2-(3,4-dihydro-2H-pyrrol-5-yl)hydrazinecarbodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 2-(3,4-dihydro-2H-pyrrol-5-yl)hydrazinecarbodithioate has 2 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 methyl 2-(3,4-dihydro-2H-pyrrol-5-yl)hydrazinecarbodithioate?
The CAS number of methyl 2-(3,4-dihydro-2H-pyrrol-5-yl)hydrazinecarbodithioate is 140439-90-3.
What is the molecular formula of methyl 2-(3,4-dihydro-2H-pyrrol-5-yl)hydrazinecarbodithioate?
The molecular formula of methyl 2-(3,4-dihydro-2H-pyrrol-5-yl)hydrazinecarbodithioate is C6H11N3S2.
What is the molecular weight of methyl 2-(3,4-dihydro-2H-pyrrol-5-yl)hydrazinecarbodithioate?
The molecular weight of methyl 2-(3,4-dihydro-2H-pyrrol-5-yl)hydrazinecarbodithioate is 189.04 g/mol.
Where can I buy methyl 2-(3,4-dihydro-2H-pyrrol-5-yl)hydrazinecarbodithioate?
You can request a quote for methyl 2-(3,4-dihydro-2H-pyrrol-5-yl)hydrazinecarbodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-(3,4-dihydro-2H-pyrrol-5-yl)hydrazinecarbodithioate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(3,4-dihydro-2H-pyrrol-5-yl)hydrazinecarbodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.