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

C9H10O2S — CID 57105823

IUPAC8-hydroxysulfanyl-3,4-dihydro-2H-chromene
SMILESOSc1cccc2c1OCCC2
InChIInChI=1S/C9H10O2S/c10-12-8-5-1-3-7-4-2-6-11-9(7)8/h1,3,5,10H,2,4,6H2
InChIKeyZQYOWXVZNDNQRP-UHFFFAOYSA-N
MW182.24 g/mol
LogP2.58
Rot. Bonds1

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

8-hydroxysulfanyl-3,4-dihydro-2H-chromene (PubChem CID 57105823) has the molecular formula C9H10O2S and a molecular weight of 182.24 g/mol. Its IUPAC name is 8-hydroxysulfanyl-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name8-hydroxysulfanyl-3,4-dihydro-2H-chromene
PubChem CID57105823
Molecular FormulaC9H10O2S
Molecular Weight182.24 g/mol
Exact Mass182.04
IUPAC Name8-hydroxysulfanyl-3,4-dihydro-2H-chromene
SMILESOSc1cccc2c1OCCC2
InChIInChI=1S/C9H10O2S/c10-12-8-5-1-3-7-4-2-6-11-9(7)8/h1,3,5,10H,2,4,6H2
InChIKeyZQYOWXVZNDNQRP-UHFFFAOYSA-N
XLogP2.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 8-hydroxysulfanyl-3,4-dihydro-2H-chromene 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

2,3-Dihydro-1-benzofuran-7-sulfonyl chloride
CID 18616199
3,4-Dihydro-2H-1-benzopyran-6-sulfonyl chloride
CID 24267858
3,4-Dihydro-2H-1-benzopyran-8-sulfonyl chloride
CID 45594303
3,4-dihydro-2H-1-benzopyran-6-sulfonamide
CID 63840602
2,2-Dimethyl-3,4-dihydro-2H-1-benzopyran-8-sulfonamide
CID 71326365
8-Methyl-2,3-dihydro-1,4-benzoxathiine
CID 13513258
2,2-Dimethyl-3,4-dihydrochromene-8-sulfonyl chloride
CID 84710266
2-Methoxy-3-methylbenzene-1-thiol
CID 91621270
8-Thiochromane
CID 123990330
(4-cyclopropyl-3,4-dihydro-2H-chromen-8-yl) thiohypofluorite
CID 123323744
9H-xanthen-4-yl thiohypofluorite
CID 141860404
2-(trifluoromethyl)-3,4-dihydro-2H-chromene-8-sulfonamide
CID 155434237

Frequently Asked Questions

What is the IUPAC name of 8-hydroxysulfanyl-3,4-dihydro-2H-chromene?
The IUPAC name of 8-hydroxysulfanyl-3,4-dihydro-2H-chromene (CID 57105823) is 8-hydroxysulfanyl-3,4-dihydro-2H-chromene.
What is the SMILES notation for 8-hydroxysulfanyl-3,4-dihydro-2H-chromene?
The canonical SMILES for 8-hydroxysulfanyl-3,4-dihydro-2H-chromene is OSc1cccc2c1OCCC2.
What is the InChIKey of 8-hydroxysulfanyl-3,4-dihydro-2H-chromene?
The InChIKey is ZQYOWXVZNDNQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2S/c10-12-8-5-1-3-7-4-2-6-11-9(7)8/h1,3,5,10H,2,4,6H2.
What are the key properties of 8-hydroxysulfanyl-3,4-dihydro-2H-chromene?
8-hydroxysulfanyl-3,4-dihydro-2H-chromene has a molecular weight of 182.24 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxysulfanyl-3,4-dihydro-2H-chromene is sourced from PubChem (CID 57105823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).