(propan-2-yloxymethyldisulfanyl)benzene

C10H14OS2 — CID 166551999

IUPAC(propan-2-yloxymethyldisulfanyl)benzene
SMILESCC(C)OCSSc1ccccc1
InChIInChI=1S/C10H14OS2/c1-9(2)11-8-12-13-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChIKeyAAFKXWJZSORYMH-UHFFFAOYSA-N
MW214.35 g/mol
LogP3.81
Rot. Bonds5

About (propan-2-yloxymethyldisulfanyl)benzene

(propan-2-yloxymethyldisulfanyl)benzene (PubChem CID 166551999) has the molecular formula C10H14OS2 and a molecular weight of 214.35 g/mol. Its IUPAC name is (propan-2-yloxymethyldisulfanyl)benzene.

Molecular Properties

Compound Name(propan-2-yloxymethyldisulfanyl)benzene
PubChem CID166551999
Molecular FormulaC10H14OS2
Molecular Weight214.35 g/mol
Exact Mass214.05
IUPAC Name(propan-2-yloxymethyldisulfanyl)benzene
SMILESCC(C)OCSSc1ccccc1
InChIInChI=1S/C10H14OS2/c1-9(2)11-8-12-13-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChIKeyAAFKXWJZSORYMH-UHFFFAOYSA-N
XLogP3.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

(phenyldisulfanyl)methyl benzoate
CID 102400247
2-(2,2-diethoxyethyldisulfanyl)-1,1-diethoxyethane;bis((phenyldisulfanyl)benzene);hydrate
CID 174825274
1-phenylsulfanyl-3-propan-2-yloxypropan-2-ol
CID 60670968
(tert-butyldisulfanyl)benzene;(2-methylpropyldisulfanyl)benzene
CID 175415034
(2-fluoroethyldisulfanyl)benzene
CID 87156193
2,2-diethoxyethyl(phenylsulfanyl)phosphane
CID 154117287
trimethoxy-[3-(phenyldisulfanyl)propyl]silane
CID 14765025
[(2S)-1-propan-2-yloxypropan-2-yl]benzene
CID 157034832
S-phenyl N-(2-propan-2-yloxyethyl)carbamothioate
CID 167100984
2-(2-propan-2-yloxyethoxy)phenol
CID 61484898
triphenyl(propan-2-yloxymethyl)phosphanium chloride
CID 172782350
2,5,8,11,20-pentakis(phenyldisulfanyl)hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(19),2,4(17),5,7,9,11,13(20),14(18),15-decaene
CID 25191600

Frequently Asked Questions

What is the IUPAC name of (propan-2-yloxymethyldisulfanyl)benzene?
The IUPAC name of (propan-2-yloxymethyldisulfanyl)benzene (CID 166551999) is (propan-2-yloxymethyldisulfanyl)benzene.
What is the SMILES notation for (propan-2-yloxymethyldisulfanyl)benzene?
The canonical SMILES for (propan-2-yloxymethyldisulfanyl)benzene is CC(C)OCSSc1ccccc1.
What is the InChIKey of (propan-2-yloxymethyldisulfanyl)benzene?
The InChIKey is AAFKXWJZSORYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14OS2/c1-9(2)11-8-12-13-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3.
What are the key properties of (propan-2-yloxymethyldisulfanyl)benzene?
(propan-2-yloxymethyldisulfanyl)benzene has a molecular weight of 214.35 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (propan-2-yloxymethyldisulfanyl)benzene is sourced from PubChem (CID 166551999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).