2-(4-methylphenyl)sulfanyloxane

C12H16OS — CID 10104512

IUPAC2-(4-methylphenyl)sulfanyloxane
SMILESCc1ccc(SC2CCCCO2)cc1
InChIInChI=1S/C12H16OS/c1-10-5-7-11(8-6-10)14-12-4-2-3-9-13-12/h5-8,12H,2-4,9H2,1H3
InChIKeyTZSWREINTOFOLP-UHFFFAOYSA-N
MW208.33 g/mol
LogP3.61
Rot. Bonds2

About 2-(4-methylphenyl)sulfanyloxane

2-(4-methylphenyl)sulfanyloxane (PubChem CID 10104512) has the molecular formula C12H16OS and a molecular weight of 208.33 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfanyloxane.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfanyloxane
PubChem CID10104512
Molecular FormulaC12H16OS
Molecular Weight208.33 g/mol
Exact Mass208.09
IUPAC Name2-(4-methylphenyl)sulfanyloxane
SMILESCc1ccc(SC2CCCCO2)cc1
InChIInChI=1S/C12H16OS/c1-10-5-7-11(8-6-10)14-12-4-2-3-9-13-12/h5-8,12H,2-4,9H2,1H3
InChIKeyTZSWREINTOFOLP-UHFFFAOYSA-N
XLogP3.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(Ethylthio)toluene
CID 136431
Ethanol, 2-[(4-methylphenyl)thio]-
CID 83313
Tetrahydro-2-(phenylthio)-2H-pyran
CID 89408
Butyl p-tolyl sulfide
CID 304040
Propyl P-tolyl sulfide
CID 597180
Benzene, 1-methyl-4-((1-methylethyl)thio)-
CID 139846
Allyl(4-methylphenyl) sulfide
CID 232029
Isoamyl P-tolyl sulfide
CID 5080761
1-(Hexylsulfanyl)-4-methylbenzene
CID 220650
(2,2-Diethoxyethyl)(p-tolyl)sulfane
CID 7015317
4,4-dimethyl-2-[(E)-2-phenylethenyl]-1,3-oxathiane
CID 10889861
trans-2-(p-Tolylthio)cyclohexanol
CID 11535899

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfanyloxane?
The IUPAC name of 2-(4-methylphenyl)sulfanyloxane (CID 10104512) is 2-(4-methylphenyl)sulfanyloxane.
What is the SMILES notation for 2-(4-methylphenyl)sulfanyloxane?
The canonical SMILES for 2-(4-methylphenyl)sulfanyloxane is Cc1ccc(SC2CCCCO2)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfanyloxane?
The InChIKey is TZSWREINTOFOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16OS/c1-10-5-7-11(8-6-10)14-12-4-2-3-9-13-12/h5-8,12H,2-4,9H2,1H3.
What are the key properties of 2-(4-methylphenyl)sulfanyloxane?
2-(4-methylphenyl)sulfanyloxane has a molecular weight of 208.33 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfanyloxane is sourced from PubChem (CID 10104512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).