chromene-2-thione

C9H6OS — CID 19890

IUPACchromene-2-thione
SMILESS=c1ccc2ccccc2o1
InChIInChI=1S/C9H6OS/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-6H
InChIKeyFRZDLTCXOSFHJC-UHFFFAOYSA-N
MW162.21 g/mol
LogP3.16
Rot. Bonds

About chromene-2-thione

chromene-2-thione (PubChem CID 19890) has the molecular formula C9H6OS and a molecular weight of 162.21 g/mol. Its IUPAC name is chromene-2-thione.

Molecular Properties

Compound Namechromene-2-thione
PubChem CID19890
Molecular FormulaC9H6OS
Molecular Weight162.21 g/mol
Exact Mass162.01
IUPAC Namechromene-2-thione
SMILESS=c1ccc2ccccc2o1
InChIInChI=1S/C9H6OS/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-6H
InChIKeyFRZDLTCXOSFHJC-UHFFFAOYSA-N
XLogP3.16
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chromene-2-thione?
The IUPAC name of chromene-2-thione (CID 19890) is chromene-2-thione.
What is the SMILES notation for chromene-2-thione?
The canonical SMILES for chromene-2-thione is S=c1ccc2ccccc2o1.
What is the InChIKey of chromene-2-thione?
The InChIKey is FRZDLTCXOSFHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6OS/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-6H.
What are the key properties of chromene-2-thione?
chromene-2-thione has a molecular weight of 162.21 g/mol, XLogP of 3.16, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chromene-2-thione is sourced from PubChem (CID 19890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).