2-methyl-2H-cyclopenta[b]thiophene

C8H8S — CID 21095561

IUPAC2-methyl-2H-cyclopenta[b]thiophene
SMILESCC1C=C2C=CC=C2S1
InChIInChI=1S/C8H8S/c1-6-5-7-3-2-4-8(7)9-6/h2-6H,1H3
InChIKeyYFYDAADBKORDEJ-UHFFFAOYSA-N
MW136.22 g/mol
LogP2.50
Rot. Bonds

About 2-methyl-2H-cyclopenta[b]thiophene

2-methyl-2H-cyclopenta[b]thiophene (PubChem CID 21095561) has the molecular formula C8H8S and a molecular weight of 136.22 g/mol. Its IUPAC name is 2-methyl-2H-cyclopenta[b]thiophene.

Molecular Properties

Compound Name2-methyl-2H-cyclopenta[b]thiophene
PubChem CID21095561
Molecular FormulaC8H8S
Molecular Weight136.22 g/mol
Exact Mass136.03
IUPAC Name2-methyl-2H-cyclopenta[b]thiophene
SMILESCC1C=C2C=CC=C2S1
InChIInChI=1S/C8H8S/c1-6-5-7-3-2-4-8(7)9-6/h2-6H,1H3
InChIKeyYFYDAADBKORDEJ-UHFFFAOYSA-N
XLogP2.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.22
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Cyclopenta(c)thiophene
CID 21095307
4-(Cyclopenta-2,4-dien-1-ylidene)thiane
CID 12926918
Cyclopenta[b]thiophene
CID 17962582
Indeno[1,2-b]thiophene
CID 21503772
Cyclopenta[2,1-b:3,4-b']dithiophene
CID 21917264
Thiaazulene
CID 22111386
4-Ethylthiocyclopentadiene
CID 68403138
3-Bromo-5-methylcyclopenta[b]thiophene
CID 87161978
Indenobenzothiophene
CID 88085883
Dihydro 6h cyclopenta[b]thiophen
CID 89374432
Cyclopentadienylsulfide
CID 100951032
3-Fluoro-4-(propylsulfanylmethyl)cyclohepta-1,3,5-triene
CID 139457690

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2H-cyclopenta[b]thiophene?
The IUPAC name of 2-methyl-2H-cyclopenta[b]thiophene (CID 21095561) is 2-methyl-2H-cyclopenta[b]thiophene.
What is the SMILES notation for 2-methyl-2H-cyclopenta[b]thiophene?
The canonical SMILES for 2-methyl-2H-cyclopenta[b]thiophene is CC1C=C2C=CC=C2S1.
What is the InChIKey of 2-methyl-2H-cyclopenta[b]thiophene?
The InChIKey is YFYDAADBKORDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8S/c1-6-5-7-3-2-4-8(7)9-6/h2-6H,1H3.
What are the key properties of 2-methyl-2H-cyclopenta[b]thiophene?
2-methyl-2H-cyclopenta[b]thiophene has a molecular weight of 136.22 g/mol, XLogP of 2.50, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2H-cyclopenta[b]thiophene is sourced from PubChem (CID 21095561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).