oxo-phenylmethoxy-propyl-sulfanylidene-λ6-sulfane

C10H14O2S2 — CID 139915892

IUPACoxo-phenylmethoxy-propyl-sulfanylidene-λ6-sulfane
SMILESCCCS(=O)(=S)OCc1ccccc1
InChIInChI=1S/C10H14O2S2/c1-2-8-14(11,13)12-9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChIKeyDORAISVASWHPAX-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.27
Rot. Bonds5

About oxo-phenylmethoxy-propyl-sulfanylidene-λ6-sulfane

oxo-phenylmethoxy-propyl-sulfanylidene-λ6-sulfane (PubChem CID 139915892) has the molecular formula C10H14O2S2 and a molecular weight of 230.35 g/mol. Its IUPAC name is oxo-phenylmethoxy-propyl-sulfanylidene-λ6-sulfane.

Molecular Properties

Compound Nameoxo-phenylmethoxy-propyl-sulfanylidene-λ6-sulfane
PubChem CID139915892
Molecular FormulaC10H14O2S2
Molecular Weight230.35 g/mol
Exact Mass230.04
IUPAC Nameoxo-phenylmethoxy-propyl-sulfanylidene-λ6-sulfane
SMILESCCCS(=O)(=S)OCc1ccccc1
InChIInChI=1S/C10H14O2S2/c1-2-8-14(11,13)12-9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChIKeyDORAISVASWHPAX-UHFFFAOYSA-N
XLogP2.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl-oxo-phenylmethoxy-sulfanylidene-λ6-sulfane
CID 139915926
fluoro-oxo-phenylmethoxy-sulfanylidene-λ6-sulfane
CID 141038856
alumane;benzyl hexadecane-1-sulfonate
CID 174278447
benzyl butyl sulfate
CID 18317146
benzyl methanesulfonate;formaldehyde
CID 175233269
benzyl hydrogen sulfate
CID 20818
benzyl tridecyl sulfate
CID 169195796
methylsulfonylmethoxymethylbenzene
CID 118027529
sodium benzyl phenylmethanesulfonate
CID 22169271
benzyl hydroxy sulfate
CID 174960485
benzyl N,N-dibenzylsulfamate
CID 22184355
ethyl-oxo-phenoxy-sulfanylidene-λ6-sulfane
CID 139915928

Frequently Asked Questions

What is the IUPAC name of oxo-phenylmethoxy-propyl-sulfanylidene-λ6-sulfane?
The IUPAC name of oxo-phenylmethoxy-propyl-sulfanylidene-λ6-sulfane (CID 139915892) is oxo-phenylmethoxy-propyl-sulfanylidene-λ6-sulfane.
What is the SMILES notation for oxo-phenylmethoxy-propyl-sulfanylidene-λ6-sulfane?
The canonical SMILES for oxo-phenylmethoxy-propyl-sulfanylidene-λ6-sulfane is CCCS(=O)(=S)OCc1ccccc1.
What is the InChIKey of oxo-phenylmethoxy-propyl-sulfanylidene-λ6-sulfane?
The InChIKey is DORAISVASWHPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2S2/c1-2-8-14(11,13)12-9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3.
What are the key properties of oxo-phenylmethoxy-propyl-sulfanylidene-λ6-sulfane?
oxo-phenylmethoxy-propyl-sulfanylidene-λ6-sulfane has a molecular weight of 230.35 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxo-phenylmethoxy-propyl-sulfanylidene-λ6-sulfane is sourced from PubChem (CID 139915892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).