Name: Name:1,2-Benzodiphenylene sulfide
Brand: Angene
SKU: AG003DBX
Rating: 90 (10 reviews)

1,2-Benzodiphenylene sulfide

CAS No.:

239-35-0

Catalog Number:

AG003DBX

Molecular Formula:

Molecular Weight:

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Product Description

Catalog Number:

AG003DBX

Chemical Name:

1,2-Benzodiphenylene sulfide

CAS Number:

239-35-0

MDL Number:

MFCD00010043

IUPAC Name:

naphtho[1,2-b][1]benzothiole

InChI:

InChI=1S/C16H10S/c1-2-6-12-11(5-1)9-10-14-13-7-3-4-8-15(13)17-16(12)14/h1-10H

InChI Key:

YEUHHUCOSQOCIX-UHFFFAOYSA-N

EC Number:

205-948-0

UNII:

TSV456A44D

NSC Number:

89259

Properties

Complexity:

287

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

234.05g/mol

Formal Charge:

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Molecular Weight:

234.316g/mol

Monoisotopic Mass:

234.05g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

28.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.6

Literature

Title	Journal
Electrophilic chemistry of thia-PAHs: stable carbocations (NMR and DFT), S-alkylated onium salts, model electrophilic substitutions (nitration and bromination), and mutagenicity assay.	The Journal of organic chemistry 20071026
Analysis of dibenzothiophene metabolic pathway in Mycobacterium strain G3.	Journal of bioscience and bioengineering 20020101
An evaluation of the mutagenicity, metabolism, and DNA adduct formation of 5-nitrobenzo[b]naphtho[2,1-d]thiophene.	Chemical research in toxicology 20010601

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