ethane;methane;2-methylidene-1λ6,3λ6-benzodithiole 1,1,3,3-tetraoxide

C11H16O4S2 — CID 160601575

IUPACethane;methane;2-methylidene-1λ6,3λ6-benzodithiole 1,1,3,3-tetraoxide
SMILESC.C=C1S(=O)(=O)c2ccccc2S1(=O)=O.CC
InChIInChI=1S/C8H6O4S2.C2H6.CH4/c1-6-13(9,10)7-4-2-3-5-8(7)14(6,11)12;1-2;/h2-5H,1H2;1-2H3;1H4
InChIKeyREIPOPKNYGVVDJ-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.38
Rot. Bonds

About ethane;methane;2-methylidene-1λ6,3λ6-benzodithiole 1,1,3,3-tetraoxide

ethane;methane;2-methylidene-1λ6,3λ6-benzodithiole 1,1,3,3-tetraoxide (PubChem CID 160601575) has the molecular formula C11H16O4S2 and a molecular weight of 276.38 g/mol. Its IUPAC name is ethane;methane;2-methylidene-1λ6,3λ6-benzodithiole 1,1,3,3-tetraoxide.

Molecular Properties

Compound Nameethane;methane;2-methylidene-1λ6,3λ6-benzodithiole 1,1,3,3-tetraoxide
PubChem CID160601575
Molecular FormulaC11H16O4S2
Molecular Weight276.38 g/mol
Exact Mass276.05
IUPAC Nameethane;methane;2-methylidene-1λ6,3λ6-benzodithiole 1,1,3,3-tetraoxide
SMILESC.C=C1S(=O)(=O)c2ccccc2S1(=O)=O.CC
InChIInChI=1S/C8H6O4S2.C2H6.CH4/c1-6-13(9,10)7-4-2-3-5-8(7)14(6,11)12;1-2;/h2-5H,1H2;1-2H3;1H4
InChIKeyREIPOPKNYGVVDJ-UHFFFAOYSA-N
XLogP2.38
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

carbanide;dibenzothiophene 5,5-dioxide;ethane;tricosakis(yttrium)
CID 158868960
10,10-dioxothioxanthen-9-one;ethane
CID 142164564
3-methylidene-1,2-benzothiazol-2-ide 1,1-dioxide
CID 138967916
1,1-dioxo-3H-1,3-benzothiazol-2-one;ethane
CID 123564256
3lambda6,10lambda6-dithiahexacyclo[10.6.6.02,11.04,9.013,18.019,24]tetracosa-2(11),4,6,8,13,15,17,19,21,23-decaene 3,3,10,10-tetraoxide
CID 10971532
ethane;3-methyl-1,1-dioxo-1,3-benzothiazol-2-one
CID 91272415
1,1-dioxo-1-benzothiophen-3-one;ethane
CID 90843424
1λ6,3λ6,2-benzodithiazole 1,1,3,3-tetraoxide
CID 10500043
2,1lambda6,3lambda6-benzoxadithiole 1,1,3,3-tetraoxide
CID 613180
3-oxa-11λ6-thiatetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene 11,11-dioxide
CID 147206172
2-fluoro-2-phenyl-1,3λ6-benzoxathiole 3,3-dioxide
CID 162451918
ethane;methane;[methyl(phenyl)phosphoryl]benzene
CID 162150444

Frequently Asked Questions

What is the IUPAC name of ethane;methane;2-methylidene-1λ6,3λ6-benzodithiole 1,1,3,3-tetraoxide?
The IUPAC name of ethane;methane;2-methylidene-1λ6,3λ6-benzodithiole 1,1,3,3-tetraoxide (CID 160601575) is ethane;methane;2-methylidene-1λ6,3λ6-benzodithiole 1,1,3,3-tetraoxide.
What is the SMILES notation for ethane;methane;2-methylidene-1λ6,3λ6-benzodithiole 1,1,3,3-tetraoxide?
The canonical SMILES for ethane;methane;2-methylidene-1λ6,3λ6-benzodithiole 1,1,3,3-tetraoxide is C.C=C1S(=O)(=O)c2ccccc2S1(=O)=O.CC.
What is the InChIKey of ethane;methane;2-methylidene-1λ6,3λ6-benzodithiole 1,1,3,3-tetraoxide?
The InChIKey is REIPOPKNYGVVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O4S2.C2H6.CH4/c1-6-13(9,10)7-4-2-3-5-8(7)14(6,11)12;1-2;/h2-5H,1H2;1-2H3;1H4.
What are the key properties of ethane;methane;2-methylidene-1λ6,3λ6-benzodithiole 1,1,3,3-tetraoxide?
ethane;methane;2-methylidene-1λ6,3λ6-benzodithiole 1,1,3,3-tetraoxide has a molecular weight of 276.38 g/mol, XLogP of 2.38, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;2-methylidene-1λ6,3λ6-benzodithiole 1,1,3,3-tetraoxide is sourced from PubChem (CID 160601575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).