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

C12H10S — CID 87676888

IUPAC2-methyl-8H-indeno[2,1-b]thiophene
SMILESCc1cc2c(s1)=CC1=CC=CCC=21
InChIInChI=1S/C12H10S/c1-8-6-11-10-5-3-2-4-9(10)7-12(11)13-8/h2-4,6-7H,5H2,1H3
InChIKeyOTGDHOCKEODTKM-UHFFFAOYSA-N
MW186.28 g/mol
LogP1.89
Rot. Bonds

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

2-methyl-8H-indeno[2,1-b]thiophene (PubChem CID 87676888) has the molecular formula C12H10S and a molecular weight of 186.28 g/mol. Its IUPAC name is 2-methyl-8H-indeno[2,1-b]thiophene.

Molecular Properties

Compound Name2-methyl-8H-indeno[2,1-b]thiophene
PubChem CID87676888
Molecular FormulaC12H10S
Molecular Weight186.28 g/mol
Exact Mass186.05
IUPAC Name2-methyl-8H-indeno[2,1-b]thiophene
SMILESCc1cc2c(s1)=CC1=CC=CCC=21
InChIInChI=1S/C12H10S/c1-8-6-11-10-5-3-2-4-9(10)7-12(11)13-8/h2-4,6-7H,5H2,1H3
InChIKeyOTGDHOCKEODTKM-UHFFFAOYSA-N
XLogP1.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-8H-indeno[2,1-b]thiophene?
The IUPAC name of 2-methyl-8H-indeno[2,1-b]thiophene (CID 87676888) is 2-methyl-8H-indeno[2,1-b]thiophene.
What is the SMILES notation for 2-methyl-8H-indeno[2,1-b]thiophene?
The canonical SMILES for 2-methyl-8H-indeno[2,1-b]thiophene is Cc1cc2c(s1)=CC1=CC=CCC=21.
What is the InChIKey of 2-methyl-8H-indeno[2,1-b]thiophene?
The InChIKey is OTGDHOCKEODTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10S/c1-8-6-11-10-5-3-2-4-9(10)7-12(11)13-8/h2-4,6-7H,5H2,1H3.
What are the key properties of 2-methyl-8H-indeno[2,1-b]thiophene?
2-methyl-8H-indeno[2,1-b]thiophene has a molecular weight of 186.28 g/mol, XLogP of 1.89, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8H-indeno[2,1-b]thiophene is sourced from PubChem (CID 87676888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).