ethane;methoxyethane;methylsulfanylethane;methylsulfanylmethylbenzene;naphthalene

C26H40OS2 — CID 161313469

IUPACethane;methoxyethane;methylsulfanylethane;methylsulfanylmethylbenzene;naphthalene
SMILESCC.CCOC.CCSC.CSCc1ccccc1.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.C8H10S.C3H8O.C3H8S.C2H6/c1-2-6-10-8-4-3-7-9(10)5-1;1-9-7-8-5-3-2-4-6-8;2*1-3-4-2;1-2/h1-8H;2-6H,7H2,1H3;2*3H2,1-2H3;1-2H3
InChIKeyVJERHRDLCZTMRN-UHFFFAOYSA-N
MW432.74 g/mol
LogP8.44
Rot. Bonds4

About ethane;methoxyethane;methylsulfanylethane;methylsulfanylmethylbenzene;naphthalene

ethane;methoxyethane;methylsulfanylethane;methylsulfanylmethylbenzene;naphthalene (PubChem CID 161313469) has the molecular formula C26H40OS2 and a molecular weight of 432.74 g/mol. Its IUPAC name is ethane;methoxyethane;methylsulfanylethane;methylsulfanylmethylbenzene;naphthalene.

Molecular Properties

Compound Nameethane;methoxyethane;methylsulfanylethane;methylsulfanylmethylbenzene;naphthalene
PubChem CID161313469
Molecular FormulaC26H40OS2
Molecular Weight432.74 g/mol
Exact Mass432.25
IUPAC Nameethane;methoxyethane;methylsulfanylethane;methylsulfanylmethylbenzene;naphthalene
SMILESCC.CCOC.CCSC.CSCc1ccccc1.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.C8H10S.C3H8O.C3H8S.C2H6/c1-2-6-10-8-4-3-7-9(10)5-1;1-9-7-8-5-3-2-4-6-8;2*1-3-4-2;1-2/h1-8H;2-6H,7H2,1H3;2*3H2,1-2H3;1-2H3
InChIKeyVJERHRDLCZTMRN-UHFFFAOYSA-N
XLogP8.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.74
LogP ≤ 58.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;methoxyethane;methylsulfanylethane;methylsulfanylmethylbenzene;naphthalene?
The IUPAC name of ethane;methoxyethane;methylsulfanylethane;methylsulfanylmethylbenzene;naphthalene (CID 161313469) is ethane;methoxyethane;methylsulfanylethane;methylsulfanylmethylbenzene;naphthalene.
What is the SMILES notation for ethane;methoxyethane;methylsulfanylethane;methylsulfanylmethylbenzene;naphthalene?
The canonical SMILES for ethane;methoxyethane;methylsulfanylethane;methylsulfanylmethylbenzene;naphthalene is CC.CCOC.CCSC.CSCc1ccccc1.c1ccc2ccccc2c1.
What is the InChIKey of ethane;methoxyethane;methylsulfanylethane;methylsulfanylmethylbenzene;naphthalene?
The InChIKey is VJERHRDLCZTMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.C8H10S.C3H8O.C3H8S.C2H6/c1-2-6-10-8-4-3-7-9(10)5-1;1-9-7-8-5-3-2-4-6-8;2*1-3-4-2;1-2/h1-8H;2-6H,7H2,1H3;2*3H2,1-2H3;1-2H3.
What are the key properties of ethane;methoxyethane;methylsulfanylethane;methylsulfanylmethylbenzene;naphthalene?
ethane;methoxyethane;methylsulfanylethane;methylsulfanylmethylbenzene;naphthalene has a molecular weight of 432.74 g/mol, XLogP of 8.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methoxyethane;methylsulfanylethane;methylsulfanylmethylbenzene;naphthalene is sourced from PubChem (CID 161313469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).