6-propan-2-yl-1,3-dihydroazuleno[1,2-c]thiophene

C15H16S — CID 57024052

IUPAC6-propan-2-yl-1,3-dihydroazuleno[1,2-c]thiophene
SMILESCC(C)c1ccc2cc3c(c-2cc1)CSC3
InChIInChI=1S/C15H16S/c1-10(2)11-3-4-12-7-13-8-16-9-15(13)14(12)6-5-11/h3-7,10H,8-9H2,1-2H3
InChIKeyYSOOFKLEPOOLEG-UHFFFAOYSA-N
MW228.36 g/mol
LogP4.66
Rot. Bonds1

About 6-propan-2-yl-1,3-dihydroazuleno[1,2-c]thiophene

6-propan-2-yl-1,3-dihydroazuleno[1,2-c]thiophene (PubChem CID 57024052) has the molecular formula C15H16S and a molecular weight of 228.36 g/mol. Its IUPAC name is 6-propan-2-yl-1,3-dihydroazuleno[1,2-c]thiophene.

Molecular Properties

Compound Name6-propan-2-yl-1,3-dihydroazuleno[1,2-c]thiophene
PubChem CID57024052
Molecular FormulaC15H16S
Molecular Weight228.36 g/mol
Exact Mass228.10
IUPAC Name6-propan-2-yl-1,3-dihydroazuleno[1,2-c]thiophene
SMILESCC(C)c1ccc2cc3c(c-2cc1)CSC3
InChIInChI=1S/C15H16S/c1-10(2)11-3-4-12-7-13-8-16-9-15(13)14(12)6-5-11/h3-7,10H,8-9H2,1-2H3
InChIKeyYSOOFKLEPOOLEG-UHFFFAOYSA-N
XLogP4.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-1,3-dihydroazuleno[1,2-c]thiophene?
The IUPAC name of 6-propan-2-yl-1,3-dihydroazuleno[1,2-c]thiophene (CID 57024052) is 6-propan-2-yl-1,3-dihydroazuleno[1,2-c]thiophene.
What is the SMILES notation for 6-propan-2-yl-1,3-dihydroazuleno[1,2-c]thiophene?
The canonical SMILES for 6-propan-2-yl-1,3-dihydroazuleno[1,2-c]thiophene is CC(C)c1ccc2cc3c(c-2cc1)CSC3.
What is the InChIKey of 6-propan-2-yl-1,3-dihydroazuleno[1,2-c]thiophene?
The InChIKey is YSOOFKLEPOOLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16S/c1-10(2)11-3-4-12-7-13-8-16-9-15(13)14(12)6-5-11/h3-7,10H,8-9H2,1-2H3.
What are the key properties of 6-propan-2-yl-1,3-dihydroazuleno[1,2-c]thiophene?
6-propan-2-yl-1,3-dihydroazuleno[1,2-c]thiophene has a molecular weight of 228.36 g/mol, XLogP of 4.66, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-1,3-dihydroazuleno[1,2-c]thiophene is sourced from PubChem (CID 57024052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).