[disulfanyl(2-methoxyethoxy)methyl]benzene

C10H14O2S2 — CID 169266933

IUPAC[disulfanyl(2-methoxyethoxy)methyl]benzene
SMILESCOCCOC(SS)c1ccccc1
InChIInChI=1S/C10H14O2S2/c1-11-7-8-12-10(14-13)9-5-3-2-4-6-9/h2-6,10,13H,7-8H2,1H3
InChIKeyRMDDSCDOCCWTRQ-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.93
Rot. Bonds6

About [disulfanyl(2-methoxyethoxy)methyl]benzene

[disulfanyl(2-methoxyethoxy)methyl]benzene (PubChem CID 169266933) has the molecular formula C10H14O2S2 and a molecular weight of 230.35 g/mol. Its IUPAC name is [disulfanyl(2-methoxyethoxy)methyl]benzene.

Molecular Properties

Compound Name[disulfanyl(2-methoxyethoxy)methyl]benzene
PubChem CID169266933
Molecular FormulaC10H14O2S2
Molecular Weight230.35 g/mol
Exact Mass230.04
IUPAC Name[disulfanyl(2-methoxyethoxy)methyl]benzene
SMILESCOCCOC(SS)c1ccccc1
InChIInChI=1S/C10H14O2S2/c1-11-7-8-12-10(14-13)9-5-3-2-4-6-9/h2-6,10,13H,7-8H2,1H3
InChIKeyRMDDSCDOCCWTRQ-UHFFFAOYSA-N
XLogP2.93
TPSA18.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

[methoxy(2-methoxyethoxy)methyl]benzene
CID 139725330
[(1R)-1-bromo-3-methoxypropyl]benzene
CID 129389905
[hydroperoxy(2-methoxyethoxy)methyl]benzene
CID 10512152
(1,6-dimethoxy-4-phenylhexan-3-yl)benzene
CID 12709498
(2R)-2-(2-methoxyethoxy)-2-phenylacetonitrile
CID 174633888
1-(2-methoxyethoxy)pentylbenzene
CID 10977044
1,2-dimethoxyethane;toluene;hydrate
CID 131731093
N-[2-(2-methoxyethoxy)-2-phenylethyl]-2-methylpropan-1-amine
CID 62456729
(3-methoxy-1-phenylpropyl)carbamic acid
CID 67224649
2-[methoxy(phenyl)methyl]sulfanylethanethiol
CID 163543768
N,N,N',N'-tetrakis(2-methoxyethyl)-1,2-diphenylethane-1,2-diamine
CID 613655
(1-bromo-6-methoxyhexyl)benzene
CID 64508790

Frequently Asked Questions

What is the IUPAC name of [disulfanyl(2-methoxyethoxy)methyl]benzene?
The IUPAC name of [disulfanyl(2-methoxyethoxy)methyl]benzene (CID 169266933) is [disulfanyl(2-methoxyethoxy)methyl]benzene.
What is the SMILES notation for [disulfanyl(2-methoxyethoxy)methyl]benzene?
The canonical SMILES for [disulfanyl(2-methoxyethoxy)methyl]benzene is COCCOC(SS)c1ccccc1.
What is the InChIKey of [disulfanyl(2-methoxyethoxy)methyl]benzene?
The InChIKey is RMDDSCDOCCWTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2S2/c1-11-7-8-12-10(14-13)9-5-3-2-4-6-9/h2-6,10,13H,7-8H2,1H3.
What are the key properties of [disulfanyl(2-methoxyethoxy)methyl]benzene?
[disulfanyl(2-methoxyethoxy)methyl]benzene has a molecular weight of 230.35 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [disulfanyl(2-methoxyethoxy)methyl]benzene is sourced from PubChem (CID 169266933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).