2-phenylsulfanyl-3,4-dihydro-2H-chromene

C15H14OS — CID 12936841

IUPAC2-phenylsulfanyl-3,4-dihydro-2H-chromene
SMILESc1ccc(SC2CCc3ccccc3O2)cc1
InChIInChI=1S/C15H14OS/c1-2-7-13(8-3-1)17-15-11-10-12-6-4-5-9-14(12)16-15/h1-9,15H,10-11H2
InChIKeyMQUYRCHMUAFYAB-UHFFFAOYSA-N
MW242.34 g/mol
LogP4.13
Rot. Bonds2

About 2-phenylsulfanyl-3,4-dihydro-2H-chromene

2-phenylsulfanyl-3,4-dihydro-2H-chromene (PubChem CID 12936841) has the molecular formula C15H14OS and a molecular weight of 242.34 g/mol. Its IUPAC name is 2-phenylsulfanyl-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name2-phenylsulfanyl-3,4-dihydro-2H-chromene
PubChem CID12936841
Molecular FormulaC15H14OS
Molecular Weight242.34 g/mol
Exact Mass242.08
IUPAC Name2-phenylsulfanyl-3,4-dihydro-2H-chromene
SMILESc1ccc(SC2CCc3ccccc3O2)cc1
InChIInChI=1S/C15H14OS/c1-2-7-13(8-3-1)17-15-11-10-12-6-4-5-9-14(12)16-15/h1-9,15H,10-11H2
InChIKeyMQUYRCHMUAFYAB-UHFFFAOYSA-N
XLogP4.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenylsulfanyl-3,4-dihydro-2H-chromene?
The IUPAC name of 2-phenylsulfanyl-3,4-dihydro-2H-chromene (CID 12936841) is 2-phenylsulfanyl-3,4-dihydro-2H-chromene.
What is the SMILES notation for 2-phenylsulfanyl-3,4-dihydro-2H-chromene?
The canonical SMILES for 2-phenylsulfanyl-3,4-dihydro-2H-chromene is c1ccc(SC2CCc3ccccc3O2)cc1.
What is the InChIKey of 2-phenylsulfanyl-3,4-dihydro-2H-chromene?
The InChIKey is MQUYRCHMUAFYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14OS/c1-2-7-13(8-3-1)17-15-11-10-12-6-4-5-9-14(12)16-15/h1-9,15H,10-11H2.
What are the key properties of 2-phenylsulfanyl-3,4-dihydro-2H-chromene?
2-phenylsulfanyl-3,4-dihydro-2H-chromene has a molecular weight of 242.34 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylsulfanyl-3,4-dihydro-2H-chromene is sourced from PubChem (CID 12936841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).