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Benzo[b]thiophene, 3-[(2-methylpropyl)thio]-
TL;DR: Benzo[b]thiophene, 3-[(2-methylpropyl)thio]- (CAS 54965-45-6) is a chemical compound with molecular formula C12H14S2 and molecular weight 222.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-methylpropylsulfanyl)-1-benzothiophene
Also Known As: 3- benzo[b]thiophene, 3-(Isobutylthio)benzo[b]thiophene, 3-(Isobutylsulfanyl)-1-benzothiophene, 3-(Isobutylsulfanyl)-1-benzothiophene #, Benzo[b]thiophene, 3-[(2-methylpropyl)thio]-
| Molecular Formula | C12H14S2 |
|---|---|
| Molecular Weight | 222.05 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 53.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 222.0537 |
| Heavy Atoms | 14 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 54965-45-6 |
|---|---|
| SMILES | CC(C)CSC1=CSC2=CC=CC=C21 |
| InChIKey | HKFAZVFUOCKZGX-UHFFFAOYSA-N |
Product Overview
Benzo[b]thiophene, 3-[(2-methylpropyl)thio]- (CAS 54965-45-6), with molecular formula C12H14S2 and molecular weight 222.05 g/mol. IUPAC: 3-(2-methylpropylsulfanyl)-1-benzothiophene.
Chemical Property Profile of Benzo[b]thiophene, 3-[(2-methylpropyl)thio]-
Property Insights of Benzo[b]thiophene, 3-[(2-methylpropyl)thio]-
The XLogP value of 4.9 indicates that Benzo[b]thiophene, 3-[(2-methylpropyl)thio]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.5 Ų, Benzo[b]thiophene, 3-[(2-methylpropyl)thio]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo[b]thiophene, 3-[(2-methylpropyl)thio]- has 0 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 Benzo[b]thiophene, 3-[(2-methylpropyl)thio]-?
The CAS number of Benzo[b]thiophene, 3-[(2-methylpropyl)thio]- is 54965-45-6.
What is the molecular formula of Benzo[b]thiophene, 3-[(2-methylpropyl)thio]-?
The molecular formula of Benzo[b]thiophene, 3-[(2-methylpropyl)thio]- is C12H14S2.
What is the molecular weight of Benzo[b]thiophene, 3-[(2-methylpropyl)thio]-?
The molecular weight of Benzo[b]thiophene, 3-[(2-methylpropyl)thio]- is 222.05 g/mol.
Where can I buy Benzo[b]thiophene, 3-[(2-methylpropyl)thio]-?
You can request a quote for Benzo[b]thiophene, 3-[(2-methylpropyl)thio]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo[b]thiophene, 3-[(2-methylpropyl)thio]-?
Yes, KEHONG BIO provides custom synthesis services for Benzo[b]thiophene, 3-[(2-methylpropyl)thio]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.