(4S)-4,5,6,7-tetrahydro-1-benzothiophen-4-ol

C8H10OS — CID 92977551

IUPAC(4S)-4,5,6,7-tetrahydro-1-benzothiophen-4-ol
SMILESO[C@H]1CCCc2sccc21
InChIInChI=1S/C8H10OS/c9-7-2-1-3-8-6(7)4-5-10-8/h4-5,7,9H,1-3H2/t7-/m0/s1
InChIKeyWNIWYCSFEZILAE-ZETCQYMHSA-N
MW154.23 g/mol
LogP2.12
Rot. Bonds

About (4S)-4,5,6,7-tetrahydro-1-benzothiophen-4-ol

(4S)-4,5,6,7-tetrahydro-1-benzothiophen-4-ol (PubChem CID 92977551) has the molecular formula C8H10OS and a molecular weight of 154.23 g/mol. Its IUPAC name is (4S)-4,5,6,7-tetrahydro-1-benzothiophen-4-ol.

Molecular Properties

Compound Name(4S)-4,5,6,7-tetrahydro-1-benzothiophen-4-ol
PubChem CID92977551
Molecular FormulaC8H10OS
Molecular Weight154.23 g/mol
Exact Mass154.05
IUPAC Name(4S)-4,5,6,7-tetrahydro-1-benzothiophen-4-ol
SMILESO[C@H]1CCCc2sccc21
InChIInChI=1S/C8H10OS/c9-7-2-1-3-8-6(7)4-5-10-8/h4-5,7,9H,1-3H2/t7-/m0/s1
InChIKeyWNIWYCSFEZILAE-ZETCQYMHSA-N
XLogP2.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.23
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-4,5,6,7-tetrahydroindol-4-ol
CID 62843709
4,5,6,7-tetrahydro-1-benzothiophene-4-carboxylic acid
CID 62841259
2-[(4R)-4,5,6,7-tetrahydro-1-benzothiophen-4-yl]guanidine
CID 94880942
4-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene
CID 23542138
methyl 4-hydroxy-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-5-carboxylate
CID 71724130
1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)prop-2-en-1-one
CID 105110985
2-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)prop-2-en-1-one
CID 105113140
1,2,3,4-tetrahydronaphthalen-1-ol
CID 10723
N-[(1S,2S)-2-hydroxycyclohexyl]-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide
CID 104956627
4,5,6,7-tetrahydro-1-benzothiophen-4-yl trifluoromethanesulfonate
CID 58779364
2-cyclopentyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanol
CID 105090371
1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)butan-1-ol
CID 105083105

Frequently Asked Questions

What is the IUPAC name of (4S)-4,5,6,7-tetrahydro-1-benzothiophen-4-ol?
The IUPAC name of (4S)-4,5,6,7-tetrahydro-1-benzothiophen-4-ol (CID 92977551) is (4S)-4,5,6,7-tetrahydro-1-benzothiophen-4-ol.
What is the SMILES notation for (4S)-4,5,6,7-tetrahydro-1-benzothiophen-4-ol?
The canonical SMILES for (4S)-4,5,6,7-tetrahydro-1-benzothiophen-4-ol is O[C@H]1CCCc2sccc21.
What is the InChIKey of (4S)-4,5,6,7-tetrahydro-1-benzothiophen-4-ol?
The InChIKey is WNIWYCSFEZILAE-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H10OS/c9-7-2-1-3-8-6(7)4-5-10-8/h4-5,7,9H,1-3H2/t7-/m0/s1.
What are the key properties of (4S)-4,5,6,7-tetrahydro-1-benzothiophen-4-ol?
(4S)-4,5,6,7-tetrahydro-1-benzothiophen-4-ol has a molecular weight of 154.23 g/mol, XLogP of 2.12, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4,5,6,7-tetrahydro-1-benzothiophen-4-ol is sourced from PubChem (CID 92977551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).