5,8-bis(methylsulfanyl)-3,4-dihydro-2H-chromene

C11H14OS2 — CID 70283758

IUPAC5,8-bis(methylsulfanyl)-3,4-dihydro-2H-chromene
SMILESCSc1ccc(SC)c2c1CCCO2
InChIInChI=1S/C11H14OS2/c1-13-9-5-6-10(14-2)11-8(9)4-3-7-12-11/h5-6H,3-4,7H2,1-2H3
InChIKeyDMORLOQGNWXKKT-UHFFFAOYSA-N
MW226.37 g/mol
LogP3.46
Rot. Bonds2

About 5,8-bis(methylsulfanyl)-3,4-dihydro-2H-chromene

5,8-bis(methylsulfanyl)-3,4-dihydro-2H-chromene (PubChem CID 70283758) has the molecular formula C11H14OS2 and a molecular weight of 226.37 g/mol. Its IUPAC name is 5,8-bis(methylsulfanyl)-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name5,8-bis(methylsulfanyl)-3,4-dihydro-2H-chromene
PubChem CID70283758
Molecular FormulaC11H14OS2
Molecular Weight226.37 g/mol
Exact Mass226.05
IUPAC Name5,8-bis(methylsulfanyl)-3,4-dihydro-2H-chromene
SMILESCSc1ccc(SC)c2c1CCCO2
InChIInChI=1S/C11H14OS2/c1-13-9-5-6-10(14-2)11-8(9)4-3-7-12-11/h5-6H,3-4,7H2,1-2H3
InChIKeyDMORLOQGNWXKKT-UHFFFAOYSA-N
XLogP3.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.37
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,8-bis(methylsulfanyl)-3,4-dihydro-2H-chromene?
The IUPAC name of 5,8-bis(methylsulfanyl)-3,4-dihydro-2H-chromene (CID 70283758) is 5,8-bis(methylsulfanyl)-3,4-dihydro-2H-chromene.
What is the SMILES notation for 5,8-bis(methylsulfanyl)-3,4-dihydro-2H-chromene?
The canonical SMILES for 5,8-bis(methylsulfanyl)-3,4-dihydro-2H-chromene is CSc1ccc(SC)c2c1CCCO2.
What is the InChIKey of 5,8-bis(methylsulfanyl)-3,4-dihydro-2H-chromene?
The InChIKey is DMORLOQGNWXKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14OS2/c1-13-9-5-6-10(14-2)11-8(9)4-3-7-12-11/h5-6H,3-4,7H2,1-2H3.
What are the key properties of 5,8-bis(methylsulfanyl)-3,4-dihydro-2H-chromene?
5,8-bis(methylsulfanyl)-3,4-dihydro-2H-chromene has a molecular weight of 226.37 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-bis(methylsulfanyl)-3,4-dihydro-2H-chromene is sourced from PubChem (CID 70283758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).