9,10-bis(2-ethylsulfanylethoxy)anthracene

C22H26O2S2 — CID 139902048

IUPAC9,10-bis(2-ethylsulfanylethoxy)anthracene
SMILESCCSCCOc1c2ccccc2c(OCCSCC)c2ccccc12
InChIInChI=1S/C22H26O2S2/c1-3-25-15-13-23-21-17-9-5-7-11-19(17)22(24-14-16-26-4-2)20-12-8-6-10-18(20)21/h5-12H,3-4,13-16H2,1-2H3
InChIKeyRNSGAVZQTGKTII-UHFFFAOYSA-N
MW386.58 g/mol
LogP6.26
Rot. Bonds10

About 9,10-bis(2-ethylsulfanylethoxy)anthracene

9,10-bis(2-ethylsulfanylethoxy)anthracene (PubChem CID 139902048) has the molecular formula C22H26O2S2 and a molecular weight of 386.58 g/mol. Its IUPAC name is 9,10-bis(2-ethylsulfanylethoxy)anthracene.

Molecular Properties

Compound Name9,10-bis(2-ethylsulfanylethoxy)anthracene
PubChem CID139902048
Molecular FormulaC22H26O2S2
Molecular Weight386.58 g/mol
Exact Mass386.14
IUPAC Name9,10-bis(2-ethylsulfanylethoxy)anthracene
SMILESCCSCCOc1c2ccccc2c(OCCSCC)c2ccccc12
InChIInChI=1S/C22H26O2S2/c1-3-25-15-13-23-21-17-9-5-7-11-19(17)22(24-14-16-26-4-2)20-12-8-6-10-18(20)21/h5-12H,3-4,13-16H2,1-2H3
InChIKeyRNSGAVZQTGKTII-UHFFFAOYSA-N
XLogP6.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.58
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9,10-bis(6-ethylsulfanylhexoxy)anthracene
CID 139902059
(1R)-1-[1-(2-ethylsulfanylethoxy)naphthalen-2-yl]ethanamine
CID 104863269
9,10-bis(3-hexylsulfanylpropoxy)anthracene
CID 139901998
2-[2-[10-[2-(2-hydroxyethylsulfanyl)ethoxy]-2,3-dimethylanthracen-9-yl]oxyethylsulfanyl]ethanol
CID 139902125
9,10-dibutoxyanthracene;9,10-dipentoxyanthracene
CID 159695719
9,10-dioctoxyanthracene
CID 21304201
1-[1-(3-ethylsulfanylpropoxy)naphthalen-2-yl]ethanone
CID 115659124
2-ethyl-9,10-bis(ethylsulfanylmethoxy)anthracene
CID 139902073
2-chloro-3-(2-ethylsulfanylethoxy)pyridine
CID 115646957
5-(chloromethyl)-2-(2-ethylsulfanylethoxy)-1,3-dimethoxybenzene
CID 113473809
2-(2-ethylsulfanylethoxy)-3-nitrobenzoic acid
CID 113473241
2-(2-ethoxyethylsulfanyl)ethoxybenzene
CID 112777213

Frequently Asked Questions

What is the IUPAC name of 9,10-bis(2-ethylsulfanylethoxy)anthracene?
The IUPAC name of 9,10-bis(2-ethylsulfanylethoxy)anthracene (CID 139902048) is 9,10-bis(2-ethylsulfanylethoxy)anthracene.
What is the SMILES notation for 9,10-bis(2-ethylsulfanylethoxy)anthracene?
The canonical SMILES for 9,10-bis(2-ethylsulfanylethoxy)anthracene is CCSCCOc1c2ccccc2c(OCCSCC)c2ccccc12.
What is the InChIKey of 9,10-bis(2-ethylsulfanylethoxy)anthracene?
The InChIKey is RNSGAVZQTGKTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O2S2/c1-3-25-15-13-23-21-17-9-5-7-11-19(17)22(24-14-16-26-4-2)20-12-8-6-10-18(20)21/h5-12H,3-4,13-16H2,1-2H3.
What are the key properties of 9,10-bis(2-ethylsulfanylethoxy)anthracene?
9,10-bis(2-ethylsulfanylethoxy)anthracene has a molecular weight of 386.58 g/mol, XLogP of 6.26, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-bis(2-ethylsulfanylethoxy)anthracene is sourced from PubChem (CID 139902048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).