(4,5-dihydro-1H-imidazol-2-yl)methanethiol
TL;DR: (4,5-dihydro-1H-imidazol-2-yl)methanethiol (CAS 770657-47-1) is a chemical compound with molecular formula C4H8N2S and molecular weight 116.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dihydro-1H-imidazol-2-ylmethanethiol
Also Known As: (4,5-dihydro-1H-imidazol-2-yl)methanethiol, 4,5-dihydro-1H-imidazol-2-ylmethanethiol
| Molecular Formula | C4H8N2S |
|---|---|
| Molecular Weight | 116.04 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 25.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 116.04082 |
| Heavy Atoms | 7 |
| Complexity | 89.0 |
Chemical Identifiers
| CAS Number | 770657-47-1 |
|---|---|
| SMILES | C1CN=C(N1)CS |
| InChIKey | CLOVMPYIRUYVPR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(4,5-dihydro-1H-imidazol-2-yl)methanethiol (CAS 770657-47-1), with molecular formula C4H8N2S and molecular weight 116.04 g/mol. IUPAC: 4,5-dihydro-1H-imidazol-2-ylmethanethiol.
Chemical Property Profile of (4,5-dihydro-1H-imidazol-2-yl)methanethiol
Property Insights of (4,5-dihydro-1H-imidazol-2-yl)methanethiol
The XLogP value of -0.5 indicates that (4,5-dihydro-1H-imidazol-2-yl)methanethiol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 25.4 Ų, (4,5-dihydro-1H-imidazol-2-yl)methanethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4,5-dihydro-1H-imidazol-2-yl)methanethiol has 2 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 (4,5-dihydro-1H-imidazol-2-yl)methanethiol?
The CAS number of (4,5-dihydro-1H-imidazol-2-yl)methanethiol is 770657-47-1.
What is the molecular formula of (4,5-dihydro-1H-imidazol-2-yl)methanethiol?
The molecular formula of (4,5-dihydro-1H-imidazol-2-yl)methanethiol is C4H8N2S.
What is the molecular weight of (4,5-dihydro-1H-imidazol-2-yl)methanethiol?
The molecular weight of (4,5-dihydro-1H-imidazol-2-yl)methanethiol is 116.04 g/mol.
Where can I buy (4,5-dihydro-1H-imidazol-2-yl)methanethiol?
You can request a quote for (4,5-dihydro-1H-imidazol-2-yl)methanethiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4,5-dihydro-1H-imidazol-2-yl)methanethiol?
Yes, KEHONG BIO provides custom synthesis services for (4,5-dihydro-1H-imidazol-2-yl)methanethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.