octahydro-2H-1-benzothiopyran
TL;DR: octahydro-2H-1-benzothiopyran (CAS 29100-30-9) is a chemical compound with molecular formula C9H16S and molecular weight 156.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,4a,5,6,7,8,8a-octahydro-2H-thiochromene
Also Known As: thiadecalin, Octahydro-2H-thiochromene, Octahydro-2H-1-benzothiopyran, 2H-1-benzothiopyran, octahydro-, 3,4,4a,5,6,7,8,8a-octahydro-2H-thiochromene
| Molecular Formula | C9H16S |
|---|---|
| Molecular Weight | 156.10 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 156.09727 |
| Heavy Atoms | 10 |
| Complexity | 111.0 |
Chemical Identifiers
| CAS Number | 29100-30-9 |
|---|---|
| SMILES | C1CCC2C(C1)CCCS2 |
| InChIKey | ILOILTHGYLSHSI-UHFFFAOYSA-N |
Product Overview
octahydro-2H-1-benzothiopyran (CAS 29100-30-9), with molecular formula C9H16S and molecular weight 156.10 g/mol. IUPAC: 3,4,4a,5,6,7,8,8a-octahydro-2H-thiochromene.
Chemical Property Profile of octahydro-2H-1-benzothiopyran
Property Insights of octahydro-2H-1-benzothiopyran
The XLogP value of 3.1 indicates that octahydro-2H-1-benzothiopyran is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, octahydro-2H-1-benzothiopyran exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, octahydro-2H-1-benzothiopyran has 0 hydrogen bond donor(s) and 1 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 octahydro-2H-1-benzothiopyran?
The CAS number of octahydro-2H-1-benzothiopyran is 29100-30-9.
What is the molecular formula of octahydro-2H-1-benzothiopyran?
The molecular formula of octahydro-2H-1-benzothiopyran is C9H16S.
What is the molecular weight of octahydro-2H-1-benzothiopyran?
The molecular weight of octahydro-2H-1-benzothiopyran is 156.10 g/mol.
Where can I buy octahydro-2H-1-benzothiopyran?
You can request a quote for octahydro-2H-1-benzothiopyran directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for octahydro-2H-1-benzothiopyran?
Yes, KEHONG BIO provides custom synthesis services for octahydro-2H-1-benzothiopyran and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.