dibenzothiophene;ethane;molecular hydrogen

C14H16S — CID 145320534

IUPACdibenzothiophene;ethane;molecular hydrogen
SMILESCC.[H][H].c1ccc2c(c1)sc1ccccc12
InChIInChI=1S/C12H8S.C2H6.H2/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-2;/h1-8H;1-2H3;1H
InChIKeyGELOZXINHSJJGM-UHFFFAOYSA-N
MW216.35 g/mol
LogP5.33
Rot. Bonds

About dibenzothiophene;ethane;molecular hydrogen

dibenzothiophene;ethane;molecular hydrogen (PubChem CID 145320534) has the molecular formula C14H16S and a molecular weight of 216.35 g/mol. Its IUPAC name is dibenzothiophene;ethane;molecular hydrogen.

Molecular Properties

Compound Namedibenzothiophene;ethane;molecular hydrogen
PubChem CID145320534
Molecular FormulaC14H16S
Molecular Weight216.35 g/mol
Exact Mass216.10
IUPAC Namedibenzothiophene;ethane;molecular hydrogen
SMILESCC.[H][H].c1ccc2c(c1)sc1ccccc12
InChIInChI=1S/C12H8S.C2H6.H2/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-2;/h1-8H;1-2H3;1H
InChIKeyGELOZXINHSJJGM-UHFFFAOYSA-N
XLogP5.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500216.35
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

bis(dibenzothiophene);ethane
CID 143921746
dibenzothiophene;methane
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dibenzothiophene;formaldehyde
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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 dibenzothiophene;ethane;molecular hydrogen?
The IUPAC name of dibenzothiophene;ethane;molecular hydrogen (CID 145320534) is dibenzothiophene;ethane;molecular hydrogen.
What is the SMILES notation for dibenzothiophene;ethane;molecular hydrogen?
The canonical SMILES for dibenzothiophene;ethane;molecular hydrogen is CC.[H][H].c1ccc2c(c1)sc1ccccc12.
What is the InChIKey of dibenzothiophene;ethane;molecular hydrogen?
The InChIKey is GELOZXINHSJJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8S.C2H6.H2/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-2;/h1-8H;1-2H3;1H.
What are the key properties of dibenzothiophene;ethane;molecular hydrogen?
dibenzothiophene;ethane;molecular hydrogen has a molecular weight of 216.35 g/mol, XLogP of 5.33, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzothiophene;ethane;molecular hydrogen is sourced from PubChem (CID 145320534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).