bis(dibenzothiophene);ethane

C26H22S2 — CID 143921746

IUPACbis(dibenzothiophene);ethane
SMILESCC.c1ccc2c(c1)sc1ccccc12.c1ccc2c(c1)sc1ccccc12
InChIInChI=1S/2C12H8S.C2H6/c2*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-2/h2*1-8H;1-2H3
InChIKeyBGIWDLAKQQMFFI-UHFFFAOYSA-N
MW398.60 g/mol
LogP9.14
Rot. Bonds

About bis(dibenzothiophene);ethane

bis(dibenzothiophene);ethane (PubChem CID 143921746) has the molecular formula C26H22S2 and a molecular weight of 398.60 g/mol. Its IUPAC name is bis(dibenzothiophene);ethane.

Molecular Properties

Compound Namebis(dibenzothiophene);ethane
PubChem CID143921746
Molecular FormulaC26H22S2
Molecular Weight398.60 g/mol
Exact Mass398.12
IUPAC Namebis(dibenzothiophene);ethane
SMILESCC.c1ccc2c(c1)sc1ccccc12.c1ccc2c(c1)sc1ccccc12
InChIInChI=1S/2C12H8S.C2H6/c2*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-2/h2*1-8H;1-2H3
InChIKeyBGIWDLAKQQMFFI-UHFFFAOYSA-N
XLogP9.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.60
LogP ≤ 59.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

dibenzothiophene;ethane;molecular hydrogen
CID 145320534
dibenzothiophene;methane
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dibenzothiophene;formaldehyde
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tetrakis(dibenzofuran);tris(dibenzothiophene);ethane;toluene
CID 158105670
1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;dibenzothiophene
CID 174827544
1-methyldibenzothiophene
CID 23839
dibenzothiophene;ethane;2-methylcyclohepta-1,3-diene
CID 142509932
N-methyldibenzothiophen-2-amine
CID 138617905
3-iododibenzothiophene
CID 86150547
2-bromodibenzothiophene;dibenzothiophene
CID 158379286
(1Z,10Z,19Z,28Z)-9,12,27,30-tetrathianonacyclo[27.7.0.02,10.03,8.011,19.013,18.020,28.021,26.031,36]hexatriaconta-1,3,5,7,10,13,15,17,19,21,23,25,28,31,33,35-hexadecaene
CID 15554848
3,26-dithiaheptacyclo[13.11.1.12,10.04,9.019,27.020,25.014,28]octacosa-1,4,6,8,10(28),11,13,15,17,19(27),20,22,24-tridecaene
CID 149009096

Frequently Asked Questions

What is the IUPAC name of bis(dibenzothiophene);ethane?
The IUPAC name of bis(dibenzothiophene);ethane (CID 143921746) is bis(dibenzothiophene);ethane.
What is the SMILES notation for bis(dibenzothiophene);ethane?
The canonical SMILES for bis(dibenzothiophene);ethane is CC.c1ccc2c(c1)sc1ccccc12.c1ccc2c(c1)sc1ccccc12.
What is the InChIKey of bis(dibenzothiophene);ethane?
The InChIKey is BGIWDLAKQQMFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H8S.C2H6/c2*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-2/h2*1-8H;1-2H3.
What are the key properties of bis(dibenzothiophene);ethane?
bis(dibenzothiophene);ethane has a molecular weight of 398.60 g/mol, XLogP of 9.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dibenzothiophene);ethane is sourced from PubChem (CID 143921746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).