![{[(1H-pyrrol-2-yl)methylidene]amino}thiourea structure](/static/products/545/5451-36-5.png)
{[(1H-pyrrol-2-yl)methylidene]amino}thiourea
TL;DR: {[(1H-pyrrol-2-yl)methylidene]amino}thiourea (CAS 5451-36-5) is a chemical compound with molecular formula C6H8N4S and molecular weight 168.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1H-pyrrol-2-ylmethylideneamino)thiourea
Also Known As: pyrrole-2-aldehyde thiosemicarbazone, {[(1H-pyrrol-2-yl)methylidene]amino}thiourea, [[(E)-pyrrol-2-ylidenemethyl]amino]thiourea, 1H-Pyrrole-2-carboxaldehyde, thiosemicarbazone, 2-(1H-Pyrrol-2-ylmethylene)hydrazinecarbothioamide
| Molecular Formula | C6H8N4S |
|---|---|
| Molecular Weight | 168.05 g/mol |
| LogP | 0.1818 |
| Topological Polar Surface Area | 66.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 168.04697 |
| Heavy Atoms | 11 |
| Complexity | 251.55582 |
Chemical Identifiers
| CAS Number | 5451-36-5 |
|---|---|
| SMILES | C1=CNC(=C1)C=NNC(=S)N |
Product Overview
{[(1H-pyrrol-2-yl)methylidene]amino}thiourea (CAS 5451-36-5), with molecular formula C6H8N4S and molecular weight 168.05 g/mol. IUPAC: (1H-pyrrol-2-ylmethylideneamino)thiourea.
Chemical Property Profile of {[(1H-pyrrol-2-yl)methylidene]amino}thiourea
Property Insights of {[(1H-pyrrol-2-yl)methylidene]amino}thiourea
The XLogP value of 0.1818 suggests moderate lipophilicity, balancing water solubility and membrane permeability for {[(1H-pyrrol-2-yl)methylidene]amino}thiourea. The TPSA of 66.2 Ų falls within the moderate polarity range, balancing permeability and solubility for {[(1H-pyrrol-2-yl)methylidene]amino}thiourea. Following Lipinski's Rule of Five, {[(1H-pyrrol-2-yl)methylidene]amino}thiourea has 3 hydrogen bond donor(s) and 2 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 {[(1H-pyrrol-2-yl)methylidene]amino}thiourea?
The CAS number of {[(1H-pyrrol-2-yl)methylidene]amino}thiourea is 5451-36-5.
What is the molecular formula of {[(1H-pyrrol-2-yl)methylidene]amino}thiourea?
The molecular formula of {[(1H-pyrrol-2-yl)methylidene]amino}thiourea is C6H8N4S.
What is the molecular weight of {[(1H-pyrrol-2-yl)methylidene]amino}thiourea?
The molecular weight of {[(1H-pyrrol-2-yl)methylidene]amino}thiourea is 168.05 g/mol.
Where can I buy {[(1H-pyrrol-2-yl)methylidene]amino}thiourea?
You can request a quote for {[(1H-pyrrol-2-yl)methylidene]amino}thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for {[(1H-pyrrol-2-yl)methylidene]amino}thiourea?
Yes, KEHONG BIO provides custom synthesis services for {[(1H-pyrrol-2-yl)methylidene]amino}thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.