4,4'-Dimethoxythiobenzophenone
Basic information
- CAS
958-80-5- Standard SMILES
COc1ccc(C(=S)c2ccc(OC)cc2)cc1- InChIKey
TUKGAYSGFQWDBC-UHFFFAOYSA-N- Molecular formula
- C15H14O2S
- Average molar mass
- 258.3 g/mol
- Monoisotopic mass
- 258.07145086
Names & identifiers
- Preferred name
- 4,4'-Dimethoxythiobenzophenone
- IUPAC
- bis(4-methoxyphenyl)methanethione
- English name
- 4,4'-dimethoxythiobenzophenone
- Molecular formula
- C15H14O2S
- Molecular weight
- 258.34
Names & synonyms
4,4'-Dimethoxythiobenzophenone958-80-5Bis(4-methoxyphenyl)methanethioneEINECS 213-489-2DTXSID50241966NSC 101004RefChem:506667DTXCID80164457213-489-2Methanethione, bis(4-methoxyphenyl)-Di-p-Anisyl thioketonep,p'-Dimethoxythiobenzophenone
Show more names
bis(4-methoxyphenyl)thione4,4'-Carbonothioylbis(anisole)Di(4-methoxyphenyl) thioketoneBis(4-methoxyphenyl) thioketone
NSC-101004Benzophenone, 4,4'-dimethoxythio-NSC1010045E2QWM2PN7NCIOpen2_006819Benzophenone,4'-dimethoxythio-SCHEMBL3448365Bis(4-methoxyphenyl)methanethione #
Database identifiers
- CAS
958-80-5- PubChem CID
- 70394
- DTXSID
DTXSID50241966- UNII
- 5E2QWM2PN7
- EC Number
- 213-489-2
- Nikkaji
- J124.139G
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 238
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Symbol(GHS)
- 8 · GHS08,GHS07,GHS09,GHS05
- Signal word
- Danger
- Hazard statements
- 334 · H334-H400-H315-H335-H318
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P261-P285-P304+P341-P342+P311-P501-P280-P305+P351+P338-P310-P273-P391-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P233, P260, P261, P264, P264+P265, P271, P273, P280, P284, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P342+P316, P362+P364, P391, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS08,GHS07,GHS09,GHS05
- Hazard statements
- H334-H400-H315-H335-H318
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P261-P285-P304+P341-P342+P311-P501-P280-P305+P351+P338-P310-P273-P391-P501
Suppliers
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Related reactions
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Compound notes
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