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1-Methylthieno[3,2-e][1]benzothiole structure
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1-Methylthieno[3,2-e][1]benzothiole

TL;DR: 1-Methylthieno[3,2-e][1]benzothiole (CAS 13640-86-3) is a chemical compound with molecular formula C11H8S2 and molecular weight 204.00674 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

1-methylthieno[3,2-e][1]benzothiole

Also Known As: 1-methylthieno[3,2-e][1]benzothiole, Benzo[1,2-b:4,3-b']dithiophene, 1-methyl-, 1-Methylbenzo[1,2-b:4,3-b/']dithiophene, 1-Methylbenzo[1,2-b:4,3-b']dithiophene, 1-Methylbenzo[1,2-b:4,3-b ]dithiophene

CAS Number
13640-86-3
Molecular Formula
C11H8S2
Molecular Weight
204.00674 g/mol
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Technical Specifications

Molecular FormulaC11H8S2
Molecular Weight204.00674 g/mol
XLogP4.3
Topological Polar Surface Area (TPSA)56.5 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors2
Rotatable Bonds0
Exact Mass204.00674 Da
Heavy Atoms13
Complexity204.0
SMILESCC1=CSC2=C1C3=C(C=C2)SC=C3
InChIKeyDQMSSDDIZLRKKW-UHFFFAOYSA-N

Chemical Property Profile of 1-Methylthieno[3,2-e][1]benzothiole

XLogP
4.3
TPSA (Topological Polar Surface Area)
56.5
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
Rotatable Bonds
0
Heavy Atoms
13
Complexity
204.0
Exact Mass
204.00674
Monoisotopic Mass
204.00674
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of 1-Methylthieno[3,2-e][1]benzothiole

The XLogP value of 4.3 indicates that 1-Methylthieno[3,2-e][1]benzothiole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.5 Ų, 1-Methylthieno[3,2-e][1]benzothiole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methylthieno[3,2-e][1]benzothiole 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

What is the CAS number of 1-Methylthieno[3,2-e][1]benzothiole?

The CAS number of 1-Methylthieno[3,2-e][1]benzothiole is 13640-86-3.

What is the molecular formula of 1-Methylthieno[3,2-e][1]benzothiole?

The molecular formula of 1-Methylthieno[3,2-e][1]benzothiole is C11H8S2.

What is the molecular weight of 1-Methylthieno[3,2-e][1]benzothiole?

The molecular weight of 1-Methylthieno[3,2-e][1]benzothiole is 204.00674 g/mol.

Where can I buy 1-Methylthieno[3,2-e][1]benzothiole?

You can request a quote for 1-Methylthieno[3,2-e][1]benzothiole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 1-Methylthieno[3,2-e][1]benzothiole?

Yes, CoreyChem provides custom synthesis services for 1-Methylthieno[3,2-e][1]benzothiole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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