(4S)-4-ethenyl-6,7-dihydro-5H-1-benzothiophen-4-ol

C10H12OS — CID 129386416

IUPAC(4S)-4-ethenyl-6,7-dihydro-5H-1-benzothiophen-4-ol
SMILESC=C[C@@]1(O)CCCc2sccc21
InChIInChI=1S/C10H12OS/c1-2-10(11)6-3-4-9-8(10)5-7-12-9/h2,5,7,11H,1,3-4,6H2/t10-/m1/s1
InChIKeyKUJCNPUQFWUEEX-SNVBAGLBSA-N
MW180.27 g/mol
LogP2.46
Rot. Bonds1

About (4S)-4-ethenyl-6,7-dihydro-5H-1-benzothiophen-4-ol

(4S)-4-ethenyl-6,7-dihydro-5H-1-benzothiophen-4-ol (PubChem CID 129386416) has the molecular formula C10H12OS and a molecular weight of 180.27 g/mol. Its IUPAC name is (4S)-4-ethenyl-6,7-dihydro-5H-1-benzothiophen-4-ol.

Molecular Properties

Compound Name(4S)-4-ethenyl-6,7-dihydro-5H-1-benzothiophen-4-ol
PubChem CID129386416
Molecular FormulaC10H12OS
Molecular Weight180.27 g/mol
Exact Mass180.06
IUPAC Name(4S)-4-ethenyl-6,7-dihydro-5H-1-benzothiophen-4-ol
SMILESC=C[C@@]1(O)CCCc2sccc21
InChIInChI=1S/C10H12OS/c1-2-10(11)6-3-4-9-8(10)5-7-12-9/h2,5,7,11H,1,3-4,6H2/t10-/m1/s1
InChIKeyKUJCNPUQFWUEEX-SNVBAGLBSA-N
XLogP2.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.27
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-ethenyl-6,7-dihydro-5H-1-benzothiophen-4-ol?
The IUPAC name of (4S)-4-ethenyl-6,7-dihydro-5H-1-benzothiophen-4-ol (CID 129386416) is (4S)-4-ethenyl-6,7-dihydro-5H-1-benzothiophen-4-ol.
What is the SMILES notation for (4S)-4-ethenyl-6,7-dihydro-5H-1-benzothiophen-4-ol?
The canonical SMILES for (4S)-4-ethenyl-6,7-dihydro-5H-1-benzothiophen-4-ol is C=C[C@@]1(O)CCCc2sccc21.
What is the InChIKey of (4S)-4-ethenyl-6,7-dihydro-5H-1-benzothiophen-4-ol?
The InChIKey is KUJCNPUQFWUEEX-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H12OS/c1-2-10(11)6-3-4-9-8(10)5-7-12-9/h2,5,7,11H,1,3-4,6H2/t10-/m1/s1.
What are the key properties of (4S)-4-ethenyl-6,7-dihydro-5H-1-benzothiophen-4-ol?
(4S)-4-ethenyl-6,7-dihydro-5H-1-benzothiophen-4-ol has a molecular weight of 180.27 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-ethenyl-6,7-dihydro-5H-1-benzothiophen-4-ol is sourced from PubChem (CID 129386416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).