2-(4-methoxyphenyl)chromene-4-thione

C16H12O2S — CID 1231330

IUPAC2-(4-methoxyphenyl)chromene-4-thione
SMILESCOc1ccc(-c2cc(=S)c3ccccc3o2)cc1
InChIInChI=1S/C16H12O2S/c1-17-12-8-6-11(7-9-12)15-10-16(19)13-4-2-3-5-14(13)18-15/h2-10H,1H3
InChIKeyVNYCDMLKRQOQKQ-UHFFFAOYSA-N
MW268.34 g/mol
LogP4.84
Rot. Bonds2

About 2-(4-methoxyphenyl)chromene-4-thione

2-(4-methoxyphenyl)chromene-4-thione (PubChem CID 1231330) has the molecular formula C16H12O2S and a molecular weight of 268.34 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)chromene-4-thione.

Molecular Properties

Compound Name2-(4-methoxyphenyl)chromene-4-thione
PubChem CID1231330
Molecular FormulaC16H12O2S
Molecular Weight268.34 g/mol
Exact Mass268.06
IUPAC Name2-(4-methoxyphenyl)chromene-4-thione
SMILESCOc1ccc(-c2cc(=S)c3ccccc3o2)cc1
InChIInChI=1S/C16H12O2S/c1-17-12-8-6-11(7-9-12)15-10-16(19)13-4-2-3-5-14(13)18-15/h2-10H,1H3
InChIKeyVNYCDMLKRQOQKQ-UHFFFAOYSA-N
XLogP4.84
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-(4-methoxyphenyl)chromene-4-thione?
The IUPAC name of 2-(4-methoxyphenyl)chromene-4-thione (CID 1231330) is 2-(4-methoxyphenyl)chromene-4-thione.
What is the SMILES notation for 2-(4-methoxyphenyl)chromene-4-thione?
The canonical SMILES for 2-(4-methoxyphenyl)chromene-4-thione is COc1ccc(-c2cc(=S)c3ccccc3o2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)chromene-4-thione?
The InChIKey is VNYCDMLKRQOQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O2S/c1-17-12-8-6-11(7-9-12)15-10-16(19)13-4-2-3-5-14(13)18-15/h2-10H,1H3.
What are the key properties of 2-(4-methoxyphenyl)chromene-4-thione?
2-(4-methoxyphenyl)chromene-4-thione has a molecular weight of 268.34 g/mol, XLogP of 4.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)chromene-4-thione is sourced from PubChem (CID 1231330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).