1,2-dimethyl-2H-indeno[2,1-b]thiophene

C13H12S — CID 172686676

IUPAC1,2-dimethyl-2H-indeno[2,1-b]thiophene
SMILESCC1=C2C(=Cc3ccccc32)SC1C
InChIInChI=1S/C13H12S/c1-8-9(2)14-12-7-10-5-3-4-6-11(10)13(8)12/h3-7,9H,1-2H3
InChIKeyBCYWPQRHQSISFA-UHFFFAOYSA-N
MW200.31 g/mol
LogP3.95
Rot. Bonds

About 1,2-dimethyl-2H-indeno[2,1-b]thiophene

1,2-dimethyl-2H-indeno[2,1-b]thiophene (PubChem CID 172686676) has the molecular formula C13H12S and a molecular weight of 200.31 g/mol. Its IUPAC name is 1,2-dimethyl-2H-indeno[2,1-b]thiophene.

Molecular Properties

Compound Name1,2-dimethyl-2H-indeno[2,1-b]thiophene
PubChem CID172686676
Molecular FormulaC13H12S
Molecular Weight200.31 g/mol
Exact Mass200.07
IUPAC Name1,2-dimethyl-2H-indeno[2,1-b]thiophene
SMILESCC1=C2C(=Cc3ccccc32)SC1C
InChIInChI=1S/C13H12S/c1-8-9(2)14-12-7-10-5-3-4-6-11(10)13(8)12/h3-7,9H,1-2H3
InChIKeyBCYWPQRHQSISFA-UHFFFAOYSA-N
XLogP3.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-2H-indeno[2,1-b]thiophene?
The IUPAC name of 1,2-dimethyl-2H-indeno[2,1-b]thiophene (CID 172686676) is 1,2-dimethyl-2H-indeno[2,1-b]thiophene.
What is the SMILES notation for 1,2-dimethyl-2H-indeno[2,1-b]thiophene?
The canonical SMILES for 1,2-dimethyl-2H-indeno[2,1-b]thiophene is CC1=C2C(=Cc3ccccc32)SC1C.
What is the InChIKey of 1,2-dimethyl-2H-indeno[2,1-b]thiophene?
The InChIKey is BCYWPQRHQSISFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12S/c1-8-9(2)14-12-7-10-5-3-4-6-11(10)13(8)12/h3-7,9H,1-2H3.
What are the key properties of 1,2-dimethyl-2H-indeno[2,1-b]thiophene?
1,2-dimethyl-2H-indeno[2,1-b]thiophene has a molecular weight of 200.31 g/mol, XLogP of 3.95, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-2H-indeno[2,1-b]thiophene is sourced from PubChem (CID 172686676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).