1-methyl-4-(phenylsulfanyloxymethyl)benzene

C14H14OS — CID 10014085

IUPAC1-methyl-4-(phenylsulfanyloxymethyl)benzene
SMILESCc1ccc(COSc2ccccc2)cc1
InChIInChI=1S/C14H14OS/c1-12-7-9-13(10-8-12)11-15-16-14-5-3-2-4-6-14/h2-10H,11H2,1H3
InChIKeyMKRPXDXQWJDKLA-UHFFFAOYSA-N
MW230.33 g/mol
LogP4.22
Rot. Bonds4

About 1-methyl-4-(phenylsulfanyloxymethyl)benzene

1-methyl-4-(phenylsulfanyloxymethyl)benzene (PubChem CID 10014085) has the molecular formula C14H14OS and a molecular weight of 230.33 g/mol. Its IUPAC name is 1-methyl-4-(phenylsulfanyloxymethyl)benzene.

Molecular Properties

Compound Name1-methyl-4-(phenylsulfanyloxymethyl)benzene
PubChem CID10014085
Molecular FormulaC14H14OS
Molecular Weight230.33 g/mol
Exact Mass230.08
IUPAC Name1-methyl-4-(phenylsulfanyloxymethyl)benzene
SMILESCc1ccc(COSc2ccccc2)cc1
InChIInChI=1S/C14H14OS/c1-12-7-9-13(10-8-12)11-15-16-14-5-3-2-4-6-14/h2-10H,11H2,1H3
InChIKeyMKRPXDXQWJDKLA-UHFFFAOYSA-N
XLogP4.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-ethoxy-4-(phenylsulfanyloxymethyl)benzene
CID 19993322
1-butoxy-4-(phenylsulfanyloxymethyl)benzene;pentahydrofluoride
CID 67939452
1-methyl-4-(3-phenylmethoxycyclobutyl)oxysulfanylbenzene
CID 163256159
methoxymethoxysulfanylbenzene
CID 15145910
1-(4-pentylcyclohexyl)-4-(phenylsulfanyloxymethyl)benzene;pentahydrofluoride
CID 67939407
phenylmethoxysulfanyloxymethylbenzene
CID 10634174
1-(methoxymethyl)-4-phenylsulfanylbenzene
CID 174608576
1-methyl-4-[[(4-methylphenyl)methoxy-phenylphosphoryl]oxymethyl]benzene
CID 101025197
(4-methylphenyl)methyl hypochlorite
CID 174764062
azane;1-(methoxymethyl)-4-methylbenzene
CID 175555359
1-benzyl-4-methylbenzene;toluene
CID 144690555
methane;1-(methoxymethyl)-4-methylbenzene
CID 158294039

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(phenylsulfanyloxymethyl)benzene?
The IUPAC name of 1-methyl-4-(phenylsulfanyloxymethyl)benzene (CID 10014085) is 1-methyl-4-(phenylsulfanyloxymethyl)benzene.
What is the SMILES notation for 1-methyl-4-(phenylsulfanyloxymethyl)benzene?
The canonical SMILES for 1-methyl-4-(phenylsulfanyloxymethyl)benzene is Cc1ccc(COSc2ccccc2)cc1.
What is the InChIKey of 1-methyl-4-(phenylsulfanyloxymethyl)benzene?
The InChIKey is MKRPXDXQWJDKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14OS/c1-12-7-9-13(10-8-12)11-15-16-14-5-3-2-4-6-14/h2-10H,11H2,1H3.
What are the key properties of 1-methyl-4-(phenylsulfanyloxymethyl)benzene?
1-methyl-4-(phenylsulfanyloxymethyl)benzene has a molecular weight of 230.33 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(phenylsulfanyloxymethyl)benzene is sourced from PubChem (CID 10014085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).