1-benzothiophene;thiophene

C12H10S2 — CID 67877268

IUPAC1-benzothiophene;thiophene
SMILESc1ccc2sccc2c1.c1ccsc1
InChIInChI=1S/C8H6S.C4H4S/c1-2-4-8-7(3-1)5-6-9-8;1-2-4-5-3-1/h1-6H;1-4H
InChIKeyAVJPROTYKYNVCI-UHFFFAOYSA-N
MW218.35 g/mol
LogP4.65
Rot. Bonds

About 1-benzothiophene;thiophene

1-benzothiophene;thiophene (PubChem CID 67877268) has the molecular formula C12H10S2 and a molecular weight of 218.35 g/mol. Its IUPAC name is 1-benzothiophene;thiophene.

Molecular Properties

Compound Name1-benzothiophene;thiophene
PubChem CID67877268
Molecular FormulaC12H10S2
Molecular Weight218.35 g/mol
Exact Mass218.02
IUPAC Name1-benzothiophene;thiophene
SMILESc1ccc2sccc2c1.c1ccsc1
InChIInChI=1S/C8H6S.C4H4S/c1-2-4-8-7(3-1)5-6-9-8;1-2-4-5-3-1/h1-6H;1-4H
InChIKeyAVJPROTYKYNVCI-UHFFFAOYSA-N
XLogP4.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.35
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzothiophene;thiophene?
The IUPAC name of 1-benzothiophene;thiophene (CID 67877268) is 1-benzothiophene;thiophene.
What is the SMILES notation for 1-benzothiophene;thiophene?
The canonical SMILES for 1-benzothiophene;thiophene is c1ccc2sccc2c1.c1ccsc1.
What is the InChIKey of 1-benzothiophene;thiophene?
The InChIKey is AVJPROTYKYNVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6S.C4H4S/c1-2-4-8-7(3-1)5-6-9-8;1-2-4-5-3-1/h1-6H;1-4H.
What are the key properties of 1-benzothiophene;thiophene?
1-benzothiophene;thiophene has a molecular weight of 218.35 g/mol, XLogP of 4.65, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophene;thiophene is sourced from PubChem (CID 67877268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).