![Propanenitrile, 3-[(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)thio]- structure](/static/products/4027/40277-60-9.webp)
Propanenitrile, 3-[(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)thio]-
TL;DR: Propanenitrile, 3-[(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)thio]- (CAS 40277-60-9) is a chemical compound with molecular formula C13H13N3S2 and molecular weight 275.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)propanenitrile
Also Known As: Propanenitrile, 3-[(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)thio]-, 3-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)propanenitrile, 3-[(5,6,7,8-Tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)sulfanyl]propanenitrile
| Molecular Formula | C13H13N3S2 |
|---|---|
| Molecular Weight | 275.06 g/mol |
| LogP | 3.57588 |
| Topological Polar Surface Area | 49.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 275.05508 |
| Heavy Atoms | 18 |
| Complexity | 612.4593 |
Chemical Identifiers
| CAS Number | 40277-60-9 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)N=CN=C3SCCC#N |
Product Overview
Propanenitrile, 3-[(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)thio]- (CAS 40277-60-9), with molecular formula C13H13N3S2 and molecular weight 275.06 g/mol. IUPAC: 3-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)propanenitrile.
Chemical Property Profile of Propanenitrile, 3-[(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)thio]-
Property Insights of Propanenitrile, 3-[(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)thio]-
The XLogP value of 3.57588 indicates that Propanenitrile, 3-[(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)thio]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.57 Ų, Propanenitrile, 3-[(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)thio]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanenitrile, 3-[(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)thio]- 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 Propanenitrile, 3-[(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)thio]-?
The CAS number of Propanenitrile, 3-[(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)thio]- is 40277-60-9.
What is the molecular formula of Propanenitrile, 3-[(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)thio]-?
The molecular formula of Propanenitrile, 3-[(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)thio]- is C13H13N3S2.
What is the molecular weight of Propanenitrile, 3-[(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)thio]-?
The molecular weight of Propanenitrile, 3-[(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)thio]- is 275.06 g/mol.
Where can I buy Propanenitrile, 3-[(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)thio]-?
You can request a quote for Propanenitrile, 3-[(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)thio]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanenitrile, 3-[(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)thio]-?
Yes, KEHONG BIO provides custom synthesis services for Propanenitrile, 3-[(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)thio]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.