8-methyl-4-propylthieno[2,3-f][1]benzothiole

C14H14S2 — CID 123432541

IUPAC8-methyl-4-propylthieno[2,3-f][1]benzothiole
SMILESCCCc1c2ccsc2c(C)c2ccsc12
InChIInChI=1S/C14H14S2/c1-3-4-11-12-6-8-15-13(12)9(2)10-5-7-16-14(10)11/h5-8H,3-4H2,1-2H3
InChIKeyRMVBHMOZMNOACX-UHFFFAOYSA-N
MW246.40 g/mol
LogP5.38
Rot. Bonds2

About 8-methyl-4-propylthieno[2,3-f][1]benzothiole

8-methyl-4-propylthieno[2,3-f][1]benzothiole (PubChem CID 123432541) has the molecular formula C14H14S2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 8-methyl-4-propylthieno[2,3-f][1]benzothiole.

Molecular Properties

Compound Name8-methyl-4-propylthieno[2,3-f][1]benzothiole
PubChem CID123432541
Molecular FormulaC14H14S2
Molecular Weight246.40 g/mol
Exact Mass246.05
IUPAC Name8-methyl-4-propylthieno[2,3-f][1]benzothiole
SMILESCCCc1c2ccsc2c(C)c2ccsc12
InChIInChI=1S/C14H14S2/c1-3-4-11-12-6-8-15-13(12)9(2)10-5-7-16-14(10)11/h5-8H,3-4H2,1-2H3
InChIKeyRMVBHMOZMNOACX-UHFFFAOYSA-N
XLogP5.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.40
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-4-propylthieno[2,3-f][1]benzothiole?
The IUPAC name of 8-methyl-4-propylthieno[2,3-f][1]benzothiole (CID 123432541) is 8-methyl-4-propylthieno[2,3-f][1]benzothiole.
What is the SMILES notation for 8-methyl-4-propylthieno[2,3-f][1]benzothiole?
The canonical SMILES for 8-methyl-4-propylthieno[2,3-f][1]benzothiole is CCCc1c2ccsc2c(C)c2ccsc12.
What is the InChIKey of 8-methyl-4-propylthieno[2,3-f][1]benzothiole?
The InChIKey is RMVBHMOZMNOACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14S2/c1-3-4-11-12-6-8-15-13(12)9(2)10-5-7-16-14(10)11/h5-8H,3-4H2,1-2H3.
What are the key properties of 8-methyl-4-propylthieno[2,3-f][1]benzothiole?
8-methyl-4-propylthieno[2,3-f][1]benzothiole has a molecular weight of 246.40 g/mol, XLogP of 5.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-4-propylthieno[2,3-f][1]benzothiole is sourced from PubChem (CID 123432541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).