4-cyclopropyldibenzothiophene

C15H12S — CID 54752889

IUPAC4-cyclopropyldibenzothiophene
SMILESc1ccc2c(c1)sc1c(C3CC3)cccc12
InChIInChI=1S/C15H12S/c1-2-7-14-12(4-1)13-6-3-5-11(10-8-9-10)15(13)16-14/h1-7,10H,8-9H2
InChIKeyBKNGSHBTGHJWKH-UHFFFAOYSA-N
MW224.33 g/mol
LogP4.93
Rot. Bonds1

About 4-cyclopropyldibenzothiophene

4-cyclopropyldibenzothiophene (PubChem CID 54752889) has the molecular formula C15H12S and a molecular weight of 224.33 g/mol. Its IUPAC name is 4-cyclopropyldibenzothiophene.

Molecular Properties

Compound Name4-cyclopropyldibenzothiophene
PubChem CID54752889
Molecular FormulaC15H12S
Molecular Weight224.33 g/mol
Exact Mass224.07
IUPAC Name4-cyclopropyldibenzothiophene
SMILESc1ccc2c(c1)sc1c(C3CC3)cccc12
InChIInChI=1S/C15H12S/c1-2-7-14-12(4-1)13-6-3-5-11(10-8-9-10)15(13)16-14/h1-7,10H,8-9H2
InChIKeyBKNGSHBTGHJWKH-UHFFFAOYSA-N
XLogP4.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

tetra(dibenzothiophen-4-yl)-λ4-sulfane
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1-cyclohexyl-5-methyl-[1]benzothiolo[3,2-c]carbazole
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4-[3,5-di(dibenzothiophen-4-yl)cyclohexa-1,5-dien-1-yl]dibenzothiophene
CID 144725280
4-cyclohexyl-12-methyl-[1]benzothiolo[2,3-a]carbazole
CID 169027706
2-dibenzothiophen-4-yl-4-phenyl-1-azonia-3-azanidacyclobutane
CID 144963869
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
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-4-amine
CID 170300950
dibenzothiophene-4-sulfonamide
CID 150056476
2-cyclopropyl-3-iodo-1-benzothiophene
CID 151628210
4,6-bis(4-dibenzothiophen-4-ylphenyl)dibenzothiophene
CID 118439385
2-dibenzothiophen-4-yl-4-methyl-6-propyl-1,2-dihydropyridine
CID 144995517
4-[4-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)cyclohexa-2,4-dien-1-yl]dibenzothiophene
CID 139307562

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyldibenzothiophene?
The IUPAC name of 4-cyclopropyldibenzothiophene (CID 54752889) is 4-cyclopropyldibenzothiophene.
What is the SMILES notation for 4-cyclopropyldibenzothiophene?
The canonical SMILES for 4-cyclopropyldibenzothiophene is c1ccc2c(c1)sc1c(C3CC3)cccc12.
What is the InChIKey of 4-cyclopropyldibenzothiophene?
The InChIKey is BKNGSHBTGHJWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12S/c1-2-7-14-12(4-1)13-6-3-5-11(10-8-9-10)15(13)16-14/h1-7,10H,8-9H2.
What are the key properties of 4-cyclopropyldibenzothiophene?
4-cyclopropyldibenzothiophene has a molecular weight of 224.33 g/mol, XLogP of 4.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyldibenzothiophene is sourced from PubChem (CID 54752889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).