N-allyl-N'-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)thiourea
TL;DR: N-allyl-N'-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)thiourea (CAS 462062-91-5) is a chemical compound with molecular formula C13H15N3S2 and molecular weight 277.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-prop-2-enylthiourea
Also Known As: Maybridge4_001660, IDI1_032242, BRD-K53770335-001-01-3, N-allyl-N'-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)thiourea, 1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-prop-2-enylthiourea
| Molecular Formula | C13H15N3S2 |
|---|---|
| Molecular Weight | 277.07 g/mol |
| LogP | 2.97098 |
| Topological Polar Surface Area | 47.85 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 277.07074 |
| Heavy Atoms | 18 |
| Complexity | 511.0414 |
Chemical Identifiers
| CAS Number | 462062-91-5 |
|---|---|
| SMILES | C=CCNC(=S)NC1=C(C2=C(S1)CCCC2)C#N |
Product Overview
N-allyl-N'-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)thiourea (CAS 462062-91-5), with molecular formula C13H15N3S2 and molecular weight 277.07 g/mol. IUPAC: 1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-prop-2-enylthiourea.
Chemical Property Profile of N-allyl-N'-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)thiourea
Property Insights of N-allyl-N'-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)thiourea
The XLogP value of 2.97098 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-allyl-N'-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)thiourea. With a topological polar surface area (TPSA) of 47.85 Ų, N-allyl-N'-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-allyl-N'-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)thiourea 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 N-allyl-N'-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)thiourea?
The CAS number of N-allyl-N'-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)thiourea is 462062-91-5.
What is the molecular formula of N-allyl-N'-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)thiourea?
The molecular formula of N-allyl-N'-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)thiourea is C13H15N3S2.
What is the molecular weight of N-allyl-N'-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)thiourea?
The molecular weight of N-allyl-N'-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)thiourea is 277.07 g/mol.
Where can I buy N-allyl-N'-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)thiourea?
You can request a quote for N-allyl-N'-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-allyl-N'-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for N-allyl-N'-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.