Mesulfen
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Basic information
- CAS
135-58-0- Standard SMILES
Cc1ccc2c(c1)Sc1ccc(C)cc1S2- InChIKey
AHXDSVSZEZHDLV-UHFFFAOYSA-N- Molecular formula
- C14H12S2
- Average molar mass
- 244.4 g/mol
- Monoisotopic mass
- 244.03804273
Overview
Mesulfen is a thianthrene.
Names & identifiers
- Preferred name
- Mesulfen
- IUPAC
- 2,7-dimethylthianthrene
- English name
- mesulfen
- Molecular formula
- C14H12S2
- Molecular weight
- 244.37508
Names & synonyms
Mesulfen2,7-DimethylthianthreneMesulphen135-58-0ThiantholNeosulfineMitigalOdylenPeligalSudermoThiotalThianthrene, 2,7-dimethyl-
Show more names
EG6V6W7WDDDTXSID0057962dimethyldiphenylenedisulfideRefChem:156694DTXCID8031730205-202-4ThianthrolCutilen
Database identifiers
- CAS
135-58-0- PubChem CID
- 667491
- DTXSID
DTXSID0057962- ChEMBL
CHEMBL2106968- ChEBI
CHEBI:134995- UNII
- EG6V6W7WDD
- EC Number
- 205-202-4
- Nikkaji
- J5.606E
Properties
Computed structural propertiesFilling in
- XLogP
- 4.9
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 227
Experimental & physicochemical properties
SpringerMaterials PropertiesCrystal structure
Endocrine DisruptorsPotential endocrine disrupting compound
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Other Safety InformationIMAP assessments - Thianthrene, 2,7-dimethyl-: Environment tier I assessment
Chemistry & industry
Pharmacology
ATC Code
D - Dermatologicals
P - Antiparasitic products, insecticides and repellents
QD - Dermatologicals
QP - Antiparasitic products, insecticides and repellents
Additional notes
DefinitionChEBI: Mesulfen is a thianthrene.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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