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About This Item
Empirical Formula (Hill Notation):
C12H8S
CAS Number:
Molecular Weight:
184.26
UNSPSC Code:
41116107
NACRES:
NA.24
PubChem Substance ID:
EC Number:
205-072-9
Beilstein/REAXYS Number:
121101
MDL number:
grade
analytical standard
Quality Level
shelf life
limited shelf life, expiry date on the label
technique(s)
HPLC: suitable, gas chromatography (GC): suitable
bp
332-333 °C (lit.)
mp
97-100 °C (lit.)
application(s)
environmental
format
neat
SMILES string
c1ccc2c(c1)sc3ccccc23
InChI
1S/C12H8S/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H
InChI key
IYYZUPMFVPLQIF-UHFFFAOYSA-N
Application
Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.
Other Notes
Find a digital Reference Material for this product available on our online platform ChemisTwin® for NMR. You can use this digital equivalent on ChemisTwin® for your sample identity confirmation and compound quantification (with digital external standard). An NMR spectrum of this substance can be viewed and an online comparison against your sample can be performed with a few mouseclicks. Learn more here and start your free trial.
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signalword
Warning
hcodes
Hazard Classifications
Acute Tox. 4 Oral - Aquatic Acute 1 - Aquatic Chronic 1
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
338.0 °F
flash_point_c
170 °C
ppe
dust mask type N95 (US), Eyeshields, Faceshields, Gloves
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Christian Zeigler et al.
Analytical chemistry, 84(5), 2245-2252 (2012-02-22)
Polycyclic aromatic sulfur heterocycles (PASH) are sulfur analogues of polycyclic aromatic hydrocarbons (PAH). Alkylated PAH attract much attention as carcinogens, mutagens, and as diagnostics for environmental forensics. PASH, in contrast, are mostly ignored in the same studies due to the
Meijun Li et al.
Journal of chromatography. A, 1233, 126-136 (2012-03-03)
Polycyclic aromatic sulfur heterocyclics (PASHs) consist mainly of thiophene class compounds, and are the most important organosulfur compounds in crude oils and sediment extracts. Dibenzothiophene (DBT) and its methylated homologues were identified on mass chromatograms by comparison with retention indices
Shilpi Aggarwal et al.
FEMS microbiology letters, 315(2), 115-121 (2010-12-25)
Rhodococcus erythropolis has been studied widely for potential applications in biodesulfurization. Previous works have been largely experimental with an emphasis on the characterization and genetic engineering of desulfurizing strains for improved biocatalysis. A systems modeling approach that can complement these

