1-methoxy-2-propylsulfanyloxybenzene

C10H14O2S — CID 143447979

IUPAC1-methoxy-2-propylsulfanyloxybenzene
SMILESCCCSOc1ccccc1OC
InChIInChI=1S/C10H14O2S/c1-3-8-13-12-10-7-5-4-6-9(10)11-2/h4-7H,3,8H2,1-2H3
InChIKeyCJOHXFLPJAQQAH-UHFFFAOYSA-N
MW198.29 g/mol
LogP3.13
Rot. Bonds5

About 1-methoxy-2-propylsulfanyloxybenzene

1-methoxy-2-propylsulfanyloxybenzene (PubChem CID 143447979) has the molecular formula C10H14O2S and a molecular weight of 198.29 g/mol. Its IUPAC name is 1-methoxy-2-propylsulfanyloxybenzene.

Molecular Properties

Compound Name1-methoxy-2-propylsulfanyloxybenzene
PubChem CID143447979
Molecular FormulaC10H14O2S
Molecular Weight198.29 g/mol
Exact Mass198.07
IUPAC Name1-methoxy-2-propylsulfanyloxybenzene
SMILESCCCSOc1ccccc1OC
InChIInChI=1S/C10H14O2S/c1-3-8-13-12-10-7-5-4-6-9(10)11-2/h4-7H,3,8H2,1-2H3
InChIKeyCJOHXFLPJAQQAH-UHFFFAOYSA-N
XLogP3.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-butylsulfanyloxy-2-methoxybenzene
CID 145375234
azane;1,2-dimethoxybenzene
CID 174437926
1,2-dimethoxybenzene;dihydrochloride
CID 19834650
1-[bis(propylsulfanyl)methyl]-2-methoxybenzene
CID 15503381
1,2-dimethoxybenzene;propanal
CID 174258099
1,2-dimethoxybenzene;molecular nitrogen;hydrochloride
CID 173306958
CID 174763347
CID 174763347
tris(1-methoxy-2-methylbenzene);propane
CID 158759517
diethyl-(2-methoxyphenoxy)gallane
CID 135082184
1-(2-methoxyphenyl)-3-propylsulfanylpropan-2-amine
CID 65128844
azane;2-methoxyphenol
CID 172717837
1-methoxy-2-[2-[2-(2-methoxyphenyl)ethyldisulfanyl]ethyl]benzene
CID 175444939

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-propylsulfanyloxybenzene?
The IUPAC name of 1-methoxy-2-propylsulfanyloxybenzene (CID 143447979) is 1-methoxy-2-propylsulfanyloxybenzene.
What is the SMILES notation for 1-methoxy-2-propylsulfanyloxybenzene?
The canonical SMILES for 1-methoxy-2-propylsulfanyloxybenzene is CCCSOc1ccccc1OC.
What is the InChIKey of 1-methoxy-2-propylsulfanyloxybenzene?
The InChIKey is CJOHXFLPJAQQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2S/c1-3-8-13-12-10-7-5-4-6-9(10)11-2/h4-7H,3,8H2,1-2H3.
What are the key properties of 1-methoxy-2-propylsulfanyloxybenzene?
1-methoxy-2-propylsulfanyloxybenzene has a molecular weight of 198.29 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-propylsulfanyloxybenzene is sourced from PubChem (CID 143447979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).