1-phenoxy-3-phenylsulfanylpropane-2-thiol

C15H16OS2 — CID 102274006

IUPAC1-phenoxy-3-phenylsulfanylpropane-2-thiol
SMILESSC(COc1ccccc1)CSc1ccccc1
InChIInChI=1S/C15H16OS2/c17-14(11-16-13-7-3-1-4-8-13)12-18-15-9-5-2-6-10-15/h1-10,14,17H,11-12H2
InChIKeyNRNATJAFZCGNOU-UHFFFAOYSA-N
MW276.43 g/mol
LogP4.16
Rot. Bonds6

About 1-phenoxy-3-phenylsulfanylpropane-2-thiol

1-phenoxy-3-phenylsulfanylpropane-2-thiol (PubChem CID 102274006) has the molecular formula C15H16OS2 and a molecular weight of 276.43 g/mol. Its IUPAC name is 1-phenoxy-3-phenylsulfanylpropane-2-thiol.

Molecular Properties

Compound Name1-phenoxy-3-phenylsulfanylpropane-2-thiol
PubChem CID102274006
Molecular FormulaC15H16OS2
Molecular Weight276.43 g/mol
Exact Mass276.06
IUPAC Name1-phenoxy-3-phenylsulfanylpropane-2-thiol
SMILESSC(COc1ccccc1)CSc1ccccc1
InChIInChI=1S/C15H16OS2/c17-14(11-16-13-7-3-1-4-8-13)12-18-15-9-5-2-6-10-15/h1-10,14,17H,11-12H2
InChIKeyNRNATJAFZCGNOU-UHFFFAOYSA-N
XLogP4.16
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxyphenyl)sulfanyl-3-phenoxypropane-2-thiol
CID 102274007
1-[4-(2-methoxyethyl)phenoxy]-3-phenylsulfanylpropane-2-thiol
CID 102274011
1-[4-[4-(2-hydroxy-3-phenylsulfanylpropoxy)phenoxy]phenoxy]-3-phenylsulfanylpropan-2-ol
CID 23389679
3-(2-hydroxy-3-phenoxypropyl)sulfanylpropane-1,2-diol
CID 10967176
(2R)-1-phenoxy-3-(2-phenylsulfanylethylamino)propan-2-ol
CID 10685878
[(2S)-3-phenoxy-2-sulfanylpropyl]urea
CID 1275345
1-phenylsulfanyl-3-propan-2-yloxypropan-2-ol
CID 60670968
[(2S)-2-phenyl-2-[(1S)-1-phenyl-2-phenylsulfanylethoxy]ethyl]sulfanylbenzene
CID 67420048
[1-phenoxy-3-[4-[4-(3-phenoxy-2-prop-2-enoyloxypropyl)sulfanylphenyl]sulfanylphenyl]sulfanylpropan-2-yl] prop-2-enoate
CID 23111056
2-ethyl-2-[1-phenoxy-3-[1-phenoxy-3-[1-phenoxy-3-[1-phenoxy-3-(1-phenoxy-3-phenylsulfanylpropan-2-yl)oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxybutan-1-ol
CID 142556990
1-(4-methylanilino)-3-phenoxypropane-2-thiol
CID 175162924
[1-(4-chlorophenoxy)-3-phenylsulfanylpropan-2-yl] prop-2-enoate
CID 58961721

Frequently Asked Questions

What is the IUPAC name of 1-phenoxy-3-phenylsulfanylpropane-2-thiol?
The IUPAC name of 1-phenoxy-3-phenylsulfanylpropane-2-thiol (CID 102274006) is 1-phenoxy-3-phenylsulfanylpropane-2-thiol.
What is the SMILES notation for 1-phenoxy-3-phenylsulfanylpropane-2-thiol?
The canonical SMILES for 1-phenoxy-3-phenylsulfanylpropane-2-thiol is SC(COc1ccccc1)CSc1ccccc1.
What is the InChIKey of 1-phenoxy-3-phenylsulfanylpropane-2-thiol?
The InChIKey is NRNATJAFZCGNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16OS2/c17-14(11-16-13-7-3-1-4-8-13)12-18-15-9-5-2-6-10-15/h1-10,14,17H,11-12H2.
What are the key properties of 1-phenoxy-3-phenylsulfanylpropane-2-thiol?
1-phenoxy-3-phenylsulfanylpropane-2-thiol has a molecular weight of 276.43 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenoxy-3-phenylsulfanylpropane-2-thiol is sourced from PubChem (CID 102274006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).