2,7-Diphenyl[1]benzothieno[3,2-b][1]benzothiophene (purified by sublimation) , CAS No.900806-58-8

CAS: 900806-58-8 Cat. No.: D404593 Molecular Weight: 392.53 EC Number: 804-586-6
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Synonyms
2,7-diphenyl[1]benzothieno[3,2-b]benzothiophene | DTXSID00659794 | SCHEMBL1230128 | DPh-BTBT | 2,7-Diphenyl[1]benzothieno[3,2-b][1]benzothiophene | A922434 | 2,7-diphenylbenzo[b]benzo[4,5]thieno[2,3-d]thiophene | AKOS025394909 | D90196 | 2,7-diphenyl-[1]b
Storage
Room temperature
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Size
Status
Price
Qty
100mg
D404593-100mg
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$409.90

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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
2, 7-diphenyl[1]benzothieno[3, 2-b]benzothiophene | DTXSID00659794 | SCHEMBL1230128 | DPh-BTBT | 2, 7-Diphenyl[1]benzothieno[3, 2-b][1]benzothiophene | A922434 | 2, 7-diphenylbenzo[b]benzo[4, 5]thieno[2, 3-d]thiophene | AKOS025394909 | D90196 | 2, 7-diphenyl-[1]b
Storage
Room temperature
Names and Identifiers
Canonical SmilesC1=CC=C(C=C1)C2=CC3=C(C=C2)C4=C(S3)C5=C(S4)C=C(C=C5)C6=CC=CC=C6
IUPAC Name2,7-diphenyl-[1]benzothiolo[3,2-b][1]benzothiole
InChIKeySBJIDUSVEICMRY-UHFFFAOYSA-N
INCHI1S/C26H16S2/c1-3-7-17(8-4-1)19-11-13-21-23(15-19)27-26-22-14-12-20(16-24(22)28-25(21)26)18-9-5-2-6-10-18/h1-16H
Isomeric SMILES C1=CC=C(C=C1)C2=CC3=C(C=C2)C4=C(S3)C5=C(S4)C=C(C=C5)C6=CC=CC=C6
Molecular Weight 392.53
Reaxy-Rn 11045018
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11045018&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassBenzothiophenes
Subclass1-benzothiophenes
Intermediate Tree Nodes Not available
Direct Parent1-benzothiophenes
Alternative Parents Thienothiophenes  Benzene and substituted derivatives  Thiophenes  Heteroaromatic compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents 1-benzothiophene - Thienothiophene - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Thiophene - Hydrocarbon derivative - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as 1-benzothiophenes. These are aromatic heterocyclic compound containing the Benzo[b]thiophene ring system.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight392.500 g/mol
XLogP38.600
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass392.069 Da
Monoisotopic Mass392.069 Da
Topological Polar Surface Area56.500 Ų
Heavy Atom Count28
Formal Charge0
Complexity487.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Documents & Articles
Solution Calculators
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