1-benzothiophene;cyclopenta-1,3-diene

C13H12S — CID 145348127

IUPAC1-benzothiophene;cyclopenta-1,3-diene
SMILESC1=CCC=C1.c1ccc2sccc2c1
InChIInChI=1S/C8H6S.C5H6/c1-2-4-8-7(3-1)5-6-9-8;1-2-4-5-3-1/h1-6H;1-4H,5H2
InChIKeyYEDBWTZKYPMXPB-UHFFFAOYSA-N
MW200.31 g/mol
LogP4.40
Rot. Bonds

About 1-benzothiophene;cyclopenta-1,3-diene

1-benzothiophene;cyclopenta-1,3-diene (PubChem CID 145348127) has the molecular formula C13H12S and a molecular weight of 200.31 g/mol. Its IUPAC name is 1-benzothiophene;cyclopenta-1,3-diene.

Molecular Properties

Compound Name1-benzothiophene;cyclopenta-1,3-diene
PubChem CID145348127
Molecular FormulaC13H12S
Molecular Weight200.31 g/mol
Exact Mass200.07
IUPAC Name1-benzothiophene;cyclopenta-1,3-diene
SMILESC1=CCC=C1.c1ccc2sccc2c1
InChIInChI=1S/C8H6S.C5H6/c1-2-4-8-7(3-1)5-6-9-8;1-2-4-5-3-1/h1-6H;1-4H,5H2
InChIKeyYEDBWTZKYPMXPB-UHFFFAOYSA-N
XLogP4.40
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 ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzothiophene
CID 175697738
1-benzothiophene
CID 7221
1-benzothiophene;gadolinium;hydrochloride
CID 174939578
benzene;1,3-benzodioxole;1-benzothiophene;cyclopenta-1,3-diene;ethane;pyridine
CID 161148821
1-benzothiophene borate
CID 19601166
1-benzothiophene;thiophene
CID 67877268
1-benzothiophene;propan-2-amine
CID 67916286
CID 174953800
CID 174953800
1-benzothiophene;ethane;propan-2-one
CID 90838293
1-benzothiophene;thieno[2,3-e][1]benzothiole
CID 158748847
1-benzothiophene;2H-thiadiazine
CID 174703745
cyclopenta-1,3-diene;phenanthrene
CID 159923928

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophene;cyclopenta-1,3-diene?
The IUPAC name of 1-benzothiophene;cyclopenta-1,3-diene (CID 145348127) is 1-benzothiophene;cyclopenta-1,3-diene.
What is the SMILES notation for 1-benzothiophene;cyclopenta-1,3-diene?
The canonical SMILES for 1-benzothiophene;cyclopenta-1,3-diene is C1=CCC=C1.c1ccc2sccc2c1.
What is the InChIKey of 1-benzothiophene;cyclopenta-1,3-diene?
The InChIKey is YEDBWTZKYPMXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6S.C5H6/c1-2-4-8-7(3-1)5-6-9-8;1-2-4-5-3-1/h1-6H;1-4H,5H2.
What are the key properties of 1-benzothiophene;cyclopenta-1,3-diene?
1-benzothiophene;cyclopenta-1,3-diene has a molecular weight of 200.31 g/mol, XLogP of 4.40, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophene;cyclopenta-1,3-diene is sourced from PubChem (CID 145348127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).