3-(methoxymethoxy)propylsulfanylbenzene

C11H16O2S — CID 11344888

IUPAC3-(methoxymethoxy)propylsulfanylbenzene
SMILESCOCOCCCSc1ccccc1
InChIInChI=1S/C11H16O2S/c1-12-10-13-8-5-9-14-11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3
InChIKeyLFDCTYVDNNDHJS-UHFFFAOYSA-N
MW212.31 g/mol
LogP2.79
Rot. Bonds7

About 3-(methoxymethoxy)propylsulfanylbenzene

3-(methoxymethoxy)propylsulfanylbenzene (PubChem CID 11344888) has the molecular formula C11H16O2S and a molecular weight of 212.31 g/mol. Its IUPAC name is 3-(methoxymethoxy)propylsulfanylbenzene.

Molecular Properties

Compound Name3-(methoxymethoxy)propylsulfanylbenzene
PubChem CID11344888
Molecular FormulaC11H16O2S
Molecular Weight212.31 g/mol
Exact Mass212.09
IUPAC Name3-(methoxymethoxy)propylsulfanylbenzene
SMILESCOCOCCCSc1ccccc1
InChIInChI=1S/C11H16O2S/c1-12-10-13-8-5-9-14-11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3
InChIKeyLFDCTYVDNNDHJS-UHFFFAOYSA-N
XLogP2.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.31
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-phenylsulfanylpropoxy)methanamine
CID 143014343
4-(2,2-dimethylpropoxy)butylsulfanylbenzene
CID 164788851
2-(3-methoxypropoxy)-N-(2-phenylsulfanylethyl)ethanamine
CID 103178650
2-pentoxyethylsulfanylbenzene
CID 79403621
11-(3-sulfanyloxypropoxy)undecylsulfanylbenzene
CID 162744614
nickel;octylsulfanylbenzene
CID 157277722
2-[3-(methoxymethoxy)propoxy]ethyl-diphenylphosphane
CID 101002865
[2-(methoxymethoxy)-3-phenylsulfanylpropyl]sulfanylbenzene
CID 22910217
2-methoxy-N-(2-phenylsulfanylethyl)ethanamine
CID 60721151
2-[3-(2-methoxyethoxy)propylsulfanyl]benzoic acid
CID 103408928
1-(dimethoxymethyl)-4-[3-(2-methoxyethoxy)propylsulfanyl]benzene
CID 103413417
methoxymethoxysulfanylbenzene
CID 15145910

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethoxy)propylsulfanylbenzene?
The IUPAC name of 3-(methoxymethoxy)propylsulfanylbenzene (CID 11344888) is 3-(methoxymethoxy)propylsulfanylbenzene.
What is the SMILES notation for 3-(methoxymethoxy)propylsulfanylbenzene?
The canonical SMILES for 3-(methoxymethoxy)propylsulfanylbenzene is COCOCCCSc1ccccc1.
What is the InChIKey of 3-(methoxymethoxy)propylsulfanylbenzene?
The InChIKey is LFDCTYVDNNDHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2S/c1-12-10-13-8-5-9-14-11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3.
What are the key properties of 3-(methoxymethoxy)propylsulfanylbenzene?
3-(methoxymethoxy)propylsulfanylbenzene has a molecular weight of 212.31 g/mol, XLogP of 2.79, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethoxy)propylsulfanylbenzene is sourced from PubChem (CID 11344888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).