Basic information
- CAS
5769-02-8- Standard SMILES
CC1(c2ccccc2)SCCS1- InChIKey
NCOLUSQXCWLHEK-UHFFFAOYSA-N- Molecular formula
- C10H12S2
- Average molar mass
- 196.3 g/mol
- Monoisotopic mass
- 196.03804273
Names & identifiers
- Preferred name
- 2-Methyl-2-phenyl-1,3-dithiolane
- IUPAC
- 2-methyl-2-phenyl-1,3-dithiolane
- English name
- Acetophenone ethane-1,2-diyl dithioacetal
- Molecular weight
- 0
Names & synonyms
2-Methyl-2-phenyl-1,3-dithiolane5769-02-81,3-DITHIOLANE, 2-METHYL-2-PHENYL-Y99X08O50ENSC-218181DTXSID80206386RefChem:1063689DTXCID80128877NSC 2181812-Phenyl-2-methyl-1,3-dithiolaneAcetophenone, cyclic ethylene mercaptoleNSC218181
Show more names
Acetophenone (ethane-1,2-diyl)dithioacetal
Acetophenone ethane-1,2-diyl dithioacetalUNII-Y99X08O50ESCHEMBL11640241NCOLUSQXCWLHEK-UHFFFAOYSA-2-methyl-2-phenyl-[1,3]dithiolaneQ27294404InChI=1/C10H12S2/c1-10(11-7-8-12-10)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
Database identifiers
- CAS
5769-02-8- PubChem CID
- 21992
- DTXSID
DTXSID80206386- UNII
- Y99X08O50E
- Nikkaji
- J42.239H
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 144
Physicochemical properties
- FDA UNII
- 99 X08O50E · Y99X08O50E
Chemistry & industry
Suppliers1 total
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
Related reactions
2 records
Compound notes
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