3,4-dihydro-2H-chromene-8-thiol

C9H10OS — CID 123990330

IUPAC3,4-dihydro-2H-chromene-8-thiol
SMILESSc1cccc2c1OCCC2
InChIInChI=1S/C9H10OS/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1,3,5,11H,2,4,6H2
InChIKeyYLQUHXHFBSFIOQ-UHFFFAOYSA-N
MW166.25 g/mol
LogP2.30
Rot. Bonds

About 3,4-dihydro-2H-chromene-8-thiol

3,4-dihydro-2H-chromene-8-thiol (PubChem CID 123990330) has the molecular formula C9H10OS and a molecular weight of 166.25 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromene-8-thiol.

Molecular Properties

Compound Name3,4-dihydro-2H-chromene-8-thiol
PubChem CID123990330
Molecular FormulaC9H10OS
Molecular Weight166.25 g/mol
Exact Mass166.05
IUPAC Name3,4-dihydro-2H-chromene-8-thiol
SMILESSc1cccc2c1OCCC2
InChIInChI=1S/C9H10OS/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1,3,5,11H,2,4,6H2
InChIKeyYLQUHXHFBSFIOQ-UHFFFAOYSA-N
XLogP2.30
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.25
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 3,4-dihydro-2H-chromene-8-thiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tris(3,4-dihydro-2H-chromen-8-yl)phosphane
CID 87299813
8-(2-methylpropyl)-3,4-dihydro-2H-chromene
CID 160635539
N-(3,4-dihydro-2H-chromen-8-yl)hydroxylamine
CID 57275899
1-(3,4-dihydro-2H-chromen-8-yl)ethanone
CID 82599043
8-methyl-3,4-dihydro-2H-chromene;1,2,3,5-tetramethylbenzene
CID 158337388
3,4-dihydro-2H-chromene-8-sulfonic acid;hydrochloride
CID 174945642
4-(3,4-dihydro-2H-chromen-8-yl)pyridine
CID 165409197
(3-bromo-2-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol
CID 115837822
(2-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 114745207
1-(3,4-dihydro-2H-chromen-8-yl)-N,2,2-trimethylpropan-1-amine
CID 114745059
4-(3,4-dihydro-2H-chromen-8-yl)pentan-2-amine
CID 114746964
3,4-dihydro-2H-chromen-8-yl-(2-fluorophenyl)methanol
CID 114743309

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromene-8-thiol?
The IUPAC name of 3,4-dihydro-2H-chromene-8-thiol (CID 123990330) is 3,4-dihydro-2H-chromene-8-thiol.
What is the SMILES notation for 3,4-dihydro-2H-chromene-8-thiol?
The canonical SMILES for 3,4-dihydro-2H-chromene-8-thiol is Sc1cccc2c1OCCC2.
What is the InChIKey of 3,4-dihydro-2H-chromene-8-thiol?
The InChIKey is YLQUHXHFBSFIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10OS/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1,3,5,11H,2,4,6H2.
What are the key properties of 3,4-dihydro-2H-chromene-8-thiol?
3,4-dihydro-2H-chromene-8-thiol has a molecular weight of 166.25 g/mol, XLogP of 2.30, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromene-8-thiol is sourced from PubChem (CID 123990330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).