benzylsulfide

Modify Date: 2026-07-07 00:11:37

benzylsulfide Structure
benzylsulfide structure
Common Name benzylsulfide
CAS Number 538-74-9 Molecular Weight 214.326
Density 1.1±0.1 g/cm3 Boiling Point 322.8±11.0 °C at 760 mmHg
Molecular Formula C14H14S Melting Point 44-47 °C(lit.)
MSDS Chinese USA Flash Point 142.5±15.9 °C

 Names

Name Dibenzyl sulphide
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.1±0.1 g/cm3
Boiling Point 322.8±11.0 °C at 760 mmHg
Melting Point 44-47 °C(lit.)
Molecular Formula C14H14S
Molecular Weight 214.326
Flash Point 142.5±15.9 °C
Exact Mass 214.081619
PSA 25.30000
LogP 4.19
Vapour Pressure 0.0±0.7 mmHg at 25°C
Index of Refraction 1.610
InChIKey LUFPJJNWMYZRQE-UHFFFAOYSA-N
SMILES c1ccc(CSCc2ccccc2)cc1
Stability Stable. Combustible. Incompatible with strong oxidizing agents.
Water Solubility <0.1 g/100 mL at 21 ºC

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DC0512500
CHEMICAL NAME :
Benzene, 1,1'-(thiobis(methylene))bis-
CAS REGISTRY NUMBER :
538-74-9
LAST UPDATED :
199709
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C14-H14-S

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>2 gm/kg
TOXIC EFFECTS :
Skin and Appendages - hair
REFERENCE :
ATDAEI Acute Toxicity Data. Journal of the American College of Toxicology, Part B. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1- 1990- Volume(issue)/page/year: 15(Suppl 1),S89,1996

 Safety Information

Personal Protective Equipment Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
Hazard Codes Xn
Safety Phrases S22-S24/25
RIDADR UN 3335
WGK Germany 2
RTECS DC0512500
HS Code 2930909090

 Synthetic Route

 Customs

HS Code 2930909090
Summary 2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

 Articles14

More Articles
Singlet oxygen promoted carbon-heteroatom bond cleavage in dibenzyl sulfides and tertiary dibenzylamines. Structural effects and the role of exciplexes.

J. Org. Chem. 72(25) , 9582-9, (2007)

The C-heteroatom cleavage reactions of substituted dibenzyl sulfides and substituted dibenzylcyclohexylamines promoted by singlet oxygen in MeCN have been investigated. In both systems, the cleavage r...

Functional groups and sulfur K-edge XANES spectra: divalent sulfur and disulfides.

J. Phys. Chem. A 114(35) , 9523-8, (2010)

Sulfur K-edge XANES was measured for two divalent sulfurs (dibenzyl and benzyl phenyl) and two disulfides (dibenzyl and diphenyl). The absorption spectra could be assigned using density functional the...

Dibenzyl sulfide metabolism by white rot fungi.

Appl. Environ. Microbiol. 69(2) , 1320-4, (2003)

Microbial metabolism of organosulfur compounds is of interest in the petroleum industry for in-field viscosity reduction and desulfurization. Here, dibenzyl sulfide (DBS) metabolism in white rot fungi...

 benzylsulfideBioassay

View more

Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
Name: Fluorescence-based cell-based primary high throughput screening assay to identify pos...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
Name: Fluorescence polarization-based biochemical high throughput primary assay to identify...
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens]
External Id: SIAE_INH_FP_1536_1X%INH PRUN
Name: p53 small molecule agonists, cell-based qHTS assay
Source: 824
External Id: P53344
Name: p53 small molecule agonists, cell-based qHTS assay with human liver microsomes
Source: 824
Target: tumor suppressor p53 [Homo sapiens]
External Id: P53MS233
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 Synonyms

1,1'-[thiobis(methylene)]dibenzene
Benzyl sulfide (8CI)
benzylsulfanylmethylbenzene
1,1'-(sulfanediyldimethanediyl)dibenzene
EINECS 208-703-6
Dibenzyl sulfide
Dibenzyl sulphide
BENZYL SULFIDE
((Benzylthio)methyl)benzene
Dibenzylsulfide
1,1'-[Thiobis(methylene)]bisbenzene
1,1'-[Sulfanediylbis(methylene)]dibenzene
benzylsulfide
MFCD00004784
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