Phosphorothioic acid, O,O-dimethyl ester, O-ester with 4,3-cresotonitrile
TL;DR: Phosphorothioic acid, O,O-dimethyl ester, O-ester with 4,3-cresotonitrile (CAS 76211-54-6) is a chemical compound with molecular formula C10H12NO3PS and molecular weight 257.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-dimethoxyphosphinothioyloxy-3-methylbenzonitrile
Also Known As: Methyl 3-cyanophos, O-4-Cyano-o-tolyl O,O-dimethyl phosphorothioate, 4-dimethoxyphosphinothioyloxy-3-methylbenzonitrile, Phosphorothioic acid, O,O-dimethyl ester, O-ester with 4,3-cresotonitrile, Phosphorothioic acid, O-(4-cyano-2-methylphenyl) O,O-dimethyl ester
| Molecular Formula | C10H12NO3PS |
|---|---|
| Molecular Weight | 257.03 g/mol |
| LogP | 2.7628 |
| Topological Polar Surface Area | 51.48 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 257.02756 |
| Heavy Atoms | 16 |
| Complexity | 461.62222 |
Chemical Identifiers
| CAS Number | 76211-54-6 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C#N)OP(=S)(OC)OC |
Product Overview
Phosphorothioic acid, O,O-dimethyl ester, O-ester with 4,3-cresotonitrile (CAS 76211-54-6), with molecular formula C10H12NO3PS and molecular weight 257.03 g/mol. IUPAC: 4-dimethoxyphosphinothioyloxy-3-methylbenzonitrile.
Chemical Property Profile of Phosphorothioic acid, O,O-dimethyl ester, O-ester with 4,3-cresotonitrile
Property Insights of Phosphorothioic acid, O,O-dimethyl ester, O-ester with 4,3-cresotonitrile
The XLogP value of 2.7628 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphorothioic acid, O,O-dimethyl ester, O-ester with 4,3-cresotonitrile. With a topological polar surface area (TPSA) of 51.48 Ų, Phosphorothioic acid, O,O-dimethyl ester, O-ester with 4,3-cresotonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphorothioic acid, O,O-dimethyl ester, O-ester with 4,3-cresotonitrile has 0 hydrogen bond donor(s) and 5 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 Phosphorothioic acid, O,O-dimethyl ester, O-ester with 4,3-cresotonitrile?
The CAS number of Phosphorothioic acid, O,O-dimethyl ester, O-ester with 4,3-cresotonitrile is 76211-54-6.
What is the molecular formula of Phosphorothioic acid, O,O-dimethyl ester, O-ester with 4,3-cresotonitrile?
The molecular formula of Phosphorothioic acid, O,O-dimethyl ester, O-ester with 4,3-cresotonitrile is C10H12NO3PS.
What is the molecular weight of Phosphorothioic acid, O,O-dimethyl ester, O-ester with 4,3-cresotonitrile?
The molecular weight of Phosphorothioic acid, O,O-dimethyl ester, O-ester with 4,3-cresotonitrile is 257.03 g/mol.
Where can I buy Phosphorothioic acid, O,O-dimethyl ester, O-ester with 4,3-cresotonitrile?
You can request a quote for Phosphorothioic acid, O,O-dimethyl ester, O-ester with 4,3-cresotonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphorothioic acid, O,O-dimethyl ester, O-ester with 4,3-cresotonitrile?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, O,O-dimethyl ester, O-ester with 4,3-cresotonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.