Dibenzothiophene

Description

Dibenzothiophene · CAS 132-65-0 · C12H8S. UNII Z3D4AJ1R48. Boiling Point: 332.5 °C; Melting Point: 99.5 °C; Vapor Pressure: 0.000205 [mmHg].

Identification

CAS Registry Number	132-65-0
PubChem CID	3023
Molecular formula	C12H8S
IUPAC name	dibenzothiophene
UNII (FDA)	Z3D4AJ1R48

Computed Descriptors

Molecular Weight	184.26
XLogP3	4.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	184.03467143
Monoisotopic Mass	184.03467143
Topological Polar Surface Area	28.2
Heavy Atom Count	13
Formal Charge	0

Physical & Chemical Properties

Boiling Point	332.5 °C
Melting Point	99.5 °C
Vapor Pressure	0.000205 [mmHg]
LogP	log Kow = 4.38
LogP	4.36

Physical description & handling notes

• Colorless solid; [Hawley] White crystalline powder with a stench; [MSDSonline]
• Colorless crystals
• Very soluble in ethanol and benzene. Soluble in chloroform, and methanol
• In water, 1.47 mg/L water at 25 °C
• 2.05X10-4 mm Hg at 25 °C /extrapolated/
• When heated to decomposition it emits toxic vapors of /sulfur oxide/.

Regulatory Status

Regulatory & Food Contact	CIR / INCI: Antioxidant
GHS notification summary	4.3% (3 / 69)

GHS Hazard Classification

GHS notification summary	4.3% (3 / 69)
Reported hazard statements	H302 (92.8%), H311 (11.6%), H315 (11.6%), H331 (11.6%), H332 (11.6%), H400 (91.3%), H410 (81.2%), H371

Documented Uses

• Used in cosmetics and pharmaceuticals; [Hawley]
• ... Dibenzothiophene is included in topical acne drug products.
• Cosmetics and pharmaceuticals, intermediate
• Beijerinckia B8/36 when grown with succinate in the presence of dibenzothiophene, accumulated (+)-cis-1,2-dihydroxy-1,2-dihydrodibenzothiophene and dibenzothiophene-5-oxide in the culture medium. Each metabolite was isolated in crystalline form and characterized by a variety of chemical techniques, cis-Naphthalene dihydrodiol dehydrogenase, isolated from Pseudomonas putida, oxidized (+)-cis-1,2-dihydroxy-1,2-dihydrodibenzothiophene to a compound that was tentatively identified as 1,2-dihydroxydibenzothiophene. ...
• The microbial degradation of organic sulfur compounds was studied in the anaerobic conditions using Desulfovibrio desulfuricans M6, a sulfate-reducing bacterium isolated from soil. Biphenyl was the major dibenzothiophene degradation product.

Synonyms

dibenzothiophene; 132-65-0; Diphenylene sulfide; Dibenzo[b,d]thiophene; 9-Thiafluorene; alpha-Thiafluorene; 2,2'-Biphenylylene sulfide; Dibenzo(b,d)thiophene; DTXSID0047741; NSC-2843; (1,1'-Biphenyl)-2,2'-diyl sulfide; [1,1'-Biphenyl]-2,2'-diyl sulfide; Z3D4AJ1R48; DTXCID0027725; CHEBI:23681; NSC2843

Frequently Asked Questions

What are the CAS number and molecular formula of Dibenzothiophene?

CAS 132-65-0; molecular formula C12H8S; molecular weight — g/mol.

What other names is Dibenzothiophene known by?

dibenzothiophene, 132-65-0, Diphenylene sulfide, Dibenzo[b,d]thiophene, 9-Thiafluorene, alpha-Thiafluorene.

What is the regulatory status of Dibenzothiophene?

Documented regulatory listings: CIR / INCI: Antioxidant.

Is Dibenzothiophene classified as hazardous?

4.3% of GHS notifications report no hazard classification (3 of 69).

What are the key physical properties of Dibenzothiophene?

Boiling Point: 332.5 °C; Melting Point: 99.5 °C; Vapor Pressure: 0.000205 [mmHg]; LogP: log Kow = 4.38.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.