4-(2-methylphenyl)sulfanylchromen-2-one

C16H12O2S — CID 6613289

IUPAC4-(2-methylphenyl)sulfanylchromen-2-one
SMILESCc1ccccc1Sc1cc(=O)oc2ccccc12
InChIInChI=1S/C16H12O2S/c1-11-6-2-5-9-14(11)19-15-10-16(17)18-13-8-4-3-7-12(13)15/h2-10H,1H3
InChIKeyYDSAYANZWVYRRS-UHFFFAOYSA-N
MW268.34 g/mol
LogP4.25
Rot. Bonds2

About 4-(2-methylphenyl)sulfanylchromen-2-one

4-(2-methylphenyl)sulfanylchromen-2-one (PubChem CID 6613289) has the molecular formula C16H12O2S and a molecular weight of 268.34 g/mol. Its IUPAC name is 4-(2-methylphenyl)sulfanylchromen-2-one.

Molecular Properties

Compound Name4-(2-methylphenyl)sulfanylchromen-2-one
PubChem CID6613289
Molecular FormulaC16H12O2S
Molecular Weight268.34 g/mol
Exact Mass268.06
IUPAC Name4-(2-methylphenyl)sulfanylchromen-2-one
SMILESCc1ccccc1Sc1cc(=O)oc2ccccc12
InChIInChI=1S/C16H12O2S/c1-11-6-2-5-9-14(11)19-15-10-16(17)18-13-8-4-3-7-12(13)15/h2-10H,1H3
InChIKeyYDSAYANZWVYRRS-UHFFFAOYSA-N
XLogP4.25
TPSA30.21 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 ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenyl)sulfanylchromen-2-one?
The IUPAC name of 4-(2-methylphenyl)sulfanylchromen-2-one (CID 6613289) is 4-(2-methylphenyl)sulfanylchromen-2-one.
What is the SMILES notation for 4-(2-methylphenyl)sulfanylchromen-2-one?
The canonical SMILES for 4-(2-methylphenyl)sulfanylchromen-2-one is Cc1ccccc1Sc1cc(=O)oc2ccccc12.
What is the InChIKey of 4-(2-methylphenyl)sulfanylchromen-2-one?
The InChIKey is YDSAYANZWVYRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O2S/c1-11-6-2-5-9-14(11)19-15-10-16(17)18-13-8-4-3-7-12(13)15/h2-10H,1H3.
What are the key properties of 4-(2-methylphenyl)sulfanylchromen-2-one?
4-(2-methylphenyl)sulfanylchromen-2-one has a molecular weight of 268.34 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenyl)sulfanylchromen-2-one is sourced from PubChem (CID 6613289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).