ethane;4-propylsulfanyl-3,4-dihydro-2H-thiochromene

C14H22S2 — CID 142608891

IUPACethane;4-propylsulfanyl-3,4-dihydro-2H-thiochromene
SMILESCC.CCCSC1CCSc2ccccc21
InChIInChI=1S/C12H16S2.C2H6/c1-2-8-13-12-7-9-14-11-6-4-3-5-10(11)12;1-2/h3-6,12H,2,7-9H2,1H3;1-2H3
InChIKeyRCMNNFPBXXISMU-UHFFFAOYSA-N
MW254.46 g/mol
LogP5.39
Rot. Bonds3

About ethane;4-propylsulfanyl-3,4-dihydro-2H-thiochromene

ethane;4-propylsulfanyl-3,4-dihydro-2H-thiochromene (PubChem CID 142608891) has the molecular formula C14H22S2 and a molecular weight of 254.46 g/mol. Its IUPAC name is ethane;4-propylsulfanyl-3,4-dihydro-2H-thiochromene.

Molecular Properties

Compound Nameethane;4-propylsulfanyl-3,4-dihydro-2H-thiochromene
PubChem CID142608891
Molecular FormulaC14H22S2
Molecular Weight254.46 g/mol
Exact Mass254.12
IUPAC Nameethane;4-propylsulfanyl-3,4-dihydro-2H-thiochromene
SMILESCC.CCCSC1CCSc2ccccc21
InChIInChI=1S/C12H16S2.C2H6/c1-2-8-13-12-7-9-14-11-6-4-3-5-10(11)12;1-2/h3-6,12H,2,7-9H2,1H3;1-2H3
InChIKeyRCMNNFPBXXISMU-UHFFFAOYSA-N
XLogP5.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.46
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethane;4-propylsulfanyl-3,4-dihydro-2H-thiochromene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;4-propylsulfanyl-3,4-dihydro-2H-thiochromene?
The IUPAC name of ethane;4-propylsulfanyl-3,4-dihydro-2H-thiochromene (CID 142608891) is ethane;4-propylsulfanyl-3,4-dihydro-2H-thiochromene.
What is the SMILES notation for ethane;4-propylsulfanyl-3,4-dihydro-2H-thiochromene?
The canonical SMILES for ethane;4-propylsulfanyl-3,4-dihydro-2H-thiochromene is CC.CCCSC1CCSc2ccccc21.
What is the InChIKey of ethane;4-propylsulfanyl-3,4-dihydro-2H-thiochromene?
The InChIKey is RCMNNFPBXXISMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16S2.C2H6/c1-2-8-13-12-7-9-14-11-6-4-3-5-10(11)12;1-2/h3-6,12H,2,7-9H2,1H3;1-2H3.
What are the key properties of ethane;4-propylsulfanyl-3,4-dihydro-2H-thiochromene?
ethane;4-propylsulfanyl-3,4-dihydro-2H-thiochromene has a molecular weight of 254.46 g/mol, XLogP of 5.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-propylsulfanyl-3,4-dihydro-2H-thiochromene is sourced from PubChem (CID 142608891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).