2,2-Dimethyl-1,3-benzodithiole

HCID 145134
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Basic information

CAS
87473-92-5
Standard SMILES
CC1(C)Sc2ccccc2S1
InChIKey
FTUFPWPQDCCWPZ-UHFFFAOYSA-N
Molecular formula
C9H10S2
Average molar mass
182.3 g/mol
Monoisotopic mass
182.02239232

Names & identifiers

Preferred name
2,2-Dimethyl-1,3-benzodithiole
IUPAC
2,2-dimethyl-1,3-benzodithiole
English name
8,8-diMethyl-7,9-dithiabicyclo[4.3.0]nona-1,3,5-triene
Molecular formula
C9H10S2
Molecular weight
182.31

Names & synonyms

2,2-Dimethyl-1,3-benzodithiole87473-92-5SCHEMBL91440442,2-dimethyl-1,3-benzodithiolFTUFPWPQDCCWPZ-UHFFFAOYSA-NDTXSID2010075782,2-Dimethyl-2H-1,3-benzodithiole1,3-Benzodithiole, 2,2-dimethyl-8,8-diMethyl-7,9-dithiabicyclo[4.3.0]nona-1,3,5-triene

Database identifiers

CAS
87473-92-5
PubChem CID
145134
DTXSID
DTXSID201007578

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
50.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
11

Physicochemical properties

Boiling point
252.9 · 252.9±20.0 °C(Predicted)
Density
1.169 · 1.169±0.06 g/cm3(Predicted)

Chemistry & industry

Suppliers1 total

广州爱纯医药科技有限公司020-39119399 18927568969 · [email protected]

Related reactions

5 records
New reaction record

Compound notes

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