6-tert-butyl-2-methyl-8H-indeno[2,1-b]thiophene

C16H18S — CID 87678267

IUPAC6-tert-butyl-2-methyl-8H-indeno[2,1-b]thiophene
SMILESCc1cc2c(s1)=CC1=CC(C(C)(C)C)=CCC=21
InChIInChI=1S/C16H18S/c1-10-7-14-13-6-5-12(16(2,3)4)8-11(13)9-15(14)17-10/h5,7-9H,6H2,1-4H3
InChIKeyFMACDFCESYQSCY-UHFFFAOYSA-N
MW242.39 g/mol
LogP3.30
Rot. Bonds

About 6-tert-butyl-2-methyl-8H-indeno[2,1-b]thiophene

6-tert-butyl-2-methyl-8H-indeno[2,1-b]thiophene (PubChem CID 87678267) has the molecular formula C16H18S and a molecular weight of 242.39 g/mol. Its IUPAC name is 6-tert-butyl-2-methyl-8H-indeno[2,1-b]thiophene.

Molecular Properties

Compound Name6-tert-butyl-2-methyl-8H-indeno[2,1-b]thiophene
PubChem CID87678267
Molecular FormulaC16H18S
Molecular Weight242.39 g/mol
Exact Mass242.11
IUPAC Name6-tert-butyl-2-methyl-8H-indeno[2,1-b]thiophene
SMILESCc1cc2c(s1)=CC1=CC(C(C)(C)C)=CCC=21
InChIInChI=1S/C16H18S/c1-10-7-14-13-6-5-12(16(2,3)4)8-11(13)9-15(14)17-10/h5,7-9H,6H2,1-4H3
InChIKeyFMACDFCESYQSCY-UHFFFAOYSA-N
XLogP3.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-methyl-8H-indeno[2,1-b]thiophene?
The IUPAC name of 6-tert-butyl-2-methyl-8H-indeno[2,1-b]thiophene (CID 87678267) is 6-tert-butyl-2-methyl-8H-indeno[2,1-b]thiophene.
What is the SMILES notation for 6-tert-butyl-2-methyl-8H-indeno[2,1-b]thiophene?
The canonical SMILES for 6-tert-butyl-2-methyl-8H-indeno[2,1-b]thiophene is Cc1cc2c(s1)=CC1=CC(C(C)(C)C)=CCC=21.
What is the InChIKey of 6-tert-butyl-2-methyl-8H-indeno[2,1-b]thiophene?
The InChIKey is FMACDFCESYQSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18S/c1-10-7-14-13-6-5-12(16(2,3)4)8-11(13)9-15(14)17-10/h5,7-9H,6H2,1-4H3.
What are the key properties of 6-tert-butyl-2-methyl-8H-indeno[2,1-b]thiophene?
6-tert-butyl-2-methyl-8H-indeno[2,1-b]thiophene has a molecular weight of 242.39 g/mol, XLogP of 3.30, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-methyl-8H-indeno[2,1-b]thiophene is sourced from PubChem (CID 87678267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).