dibenzothiophene;formaldehyde

C13H10OS — CID 20556925

IUPACdibenzothiophene;formaldehyde
SMILESC=O.c1ccc2c(c1)sc1ccccc12
InChIInChI=1S/C12H8S.CH2O/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-2/h1-8H;1H2
InChIKeyKGEUSEKMSUSZPA-UHFFFAOYSA-N
MW214.29 g/mol
LogP3.87
Rot. Bonds

About dibenzothiophene;formaldehyde

dibenzothiophene;formaldehyde (PubChem CID 20556925) has the molecular formula C13H10OS and a molecular weight of 214.29 g/mol. Its IUPAC name is dibenzothiophene;formaldehyde.

Molecular Properties

Compound Namedibenzothiophene;formaldehyde
PubChem CID20556925
Molecular FormulaC13H10OS
Molecular Weight214.29 g/mol
Exact Mass214.05
IUPAC Namedibenzothiophene;formaldehyde
SMILESC=O.c1ccc2c(c1)sc1ccccc12
InChIInChI=1S/C12H8S.CH2O/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-2/h1-8H;1H2
InChIKeyKGEUSEKMSUSZPA-UHFFFAOYSA-N
XLogP3.87
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

dibenzothiophene;methane
CID 162233710
bis(dibenzothiophene);ethane
CID 143921746
dibenzothiophene;ethane;molecular hydrogen
CID 145320534
[bromo(phenyl)phosphoryl]benzene;dibenzothiophene
CID 174853567
1,1'-biphenyl;thioxanthen-9-one
CID 159774057
dibenzothiophene-2-carbaldehyde
CID 641360
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
aniline;thioxanthen-9-one
CID 157172339
8,9-diiodo-5,15,25-trithiaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2,4(12),6,8,10,13,17,19,21,23,26-dodecaene
CID 166787448

Frequently Asked Questions

What is the IUPAC name of dibenzothiophene;formaldehyde?
The IUPAC name of dibenzothiophene;formaldehyde (CID 20556925) is dibenzothiophene;formaldehyde.
What is the SMILES notation for dibenzothiophene;formaldehyde?
The canonical SMILES for dibenzothiophene;formaldehyde is C=O.c1ccc2c(c1)sc1ccccc12.
What is the InChIKey of dibenzothiophene;formaldehyde?
The InChIKey is KGEUSEKMSUSZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8S.CH2O/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-2/h1-8H;1H2.
What are the key properties of dibenzothiophene;formaldehyde?
dibenzothiophene;formaldehyde has a molecular weight of 214.29 g/mol, XLogP of 3.87, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzothiophene;formaldehyde is sourced from PubChem (CID 20556925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).