[2-(methoxymethoxy)-3-phenylsulfanylpropyl]sulfanylbenzene

C17H20O2S2 — CID 22910217

IUPAC[2-(methoxymethoxy)-3-phenylsulfanylpropyl]sulfanylbenzene
SMILESCOCOC(CSc1ccccc1)CSc1ccccc1
InChIInChI=1S/C17H20O2S2/c1-18-14-19-15(12-20-16-8-4-2-5-9-16)13-21-17-10-6-3-7-11-17/h2-11,15H,12-14H2,1H3
InChIKeyWHGTZJZICRQOSS-UHFFFAOYSA-N
MW320.48 g/mol
LogP4.56
Rot. Bonds9

About [2-(methoxymethoxy)-3-phenylsulfanylpropyl]sulfanylbenzene

[2-(methoxymethoxy)-3-phenylsulfanylpropyl]sulfanylbenzene (PubChem CID 22910217) has the molecular formula C17H20O2S2 and a molecular weight of 320.48 g/mol. Its IUPAC name is [2-(methoxymethoxy)-3-phenylsulfanylpropyl]sulfanylbenzene.

Molecular Properties

Compound Name[2-(methoxymethoxy)-3-phenylsulfanylpropyl]sulfanylbenzene
PubChem CID22910217
Molecular FormulaC17H20O2S2
Molecular Weight320.48 g/mol
Exact Mass320.09
IUPAC Name[2-(methoxymethoxy)-3-phenylsulfanylpropyl]sulfanylbenzene
SMILESCOCOC(CSc1ccccc1)CSc1ccccc1
InChIInChI=1S/C17H20O2S2/c1-18-14-19-15(12-20-16-8-4-2-5-9-16)13-21-17-10-6-3-7-11-17/h2-11,15H,12-14H2,1H3
InChIKeyWHGTZJZICRQOSS-UHFFFAOYSA-N
XLogP4.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-(methoxymethoxy)propylsulfanylbenzene
CID 11344888
methoxymethoxysulfanylbenzene
CID 15145910
methyl 3-phenylsulfanyl-2-(phenylsulfanylmethyl)propanoate
CID 13347330
2,2-dimethoxyethylsulfanylbenzene;ethanamine;hydrochloride
CID 174463399
(3R)-1-N,1-N-bis(2-methoxyethyl)-4-phenylsulfanylbutane-1,3-diamine
CID 141202422
1-phenylsulfanyl-3-propan-2-yloxypropan-2-ol
CID 60670968
[(2S)-2-phenyl-2-[(1S)-1-phenyl-2-phenylsulfanylethoxy]ethyl]sulfanylbenzene
CID 67420048
5-methoxy-N-methyl-1-phenylsulfanylpentan-2-amine
CID 115646803
3-methyl-1-phenylsulfanylpentan-2-ol
CID 79444974
1-phenylsulfanylbutan-2-amine
CID 24973194
2-(methoxymethoxy)propylbenzene
CID 11367357
[(2S)-2-(methoxymethoxy)pent-4-enyl]benzene
CID 101457567

Frequently Asked Questions

What is the IUPAC name of [2-(methoxymethoxy)-3-phenylsulfanylpropyl]sulfanylbenzene?
The IUPAC name of [2-(methoxymethoxy)-3-phenylsulfanylpropyl]sulfanylbenzene (CID 22910217) is [2-(methoxymethoxy)-3-phenylsulfanylpropyl]sulfanylbenzene.
What is the SMILES notation for [2-(methoxymethoxy)-3-phenylsulfanylpropyl]sulfanylbenzene?
The canonical SMILES for [2-(methoxymethoxy)-3-phenylsulfanylpropyl]sulfanylbenzene is COCOC(CSc1ccccc1)CSc1ccccc1.
What is the InChIKey of [2-(methoxymethoxy)-3-phenylsulfanylpropyl]sulfanylbenzene?
The InChIKey is WHGTZJZICRQOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2S2/c1-18-14-19-15(12-20-16-8-4-2-5-9-16)13-21-17-10-6-3-7-11-17/h2-11,15H,12-14H2,1H3.
What are the key properties of [2-(methoxymethoxy)-3-phenylsulfanylpropyl]sulfanylbenzene?
[2-(methoxymethoxy)-3-phenylsulfanylpropyl]sulfanylbenzene has a molecular weight of 320.48 g/mol, XLogP of 4.56, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methoxymethoxy)-3-phenylsulfanylpropyl]sulfanylbenzene is sourced from PubChem (CID 22910217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).