(2-methoxy-3-phenylsulfanylpropyl)sulfanylbenzene

C16H18OS2 — CID 12836419

IUPAC(2-methoxy-3-phenylsulfanylpropyl)sulfanylbenzene
SMILESCOC(CSc1ccccc1)CSc1ccccc1
InChIInChI=1S/C16H18OS2/c1-17-14(12-18-15-8-4-2-5-9-15)13-19-16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3
InChIKeyPCXMAXJMJOHGAX-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.59
Rot. Bonds7

About (2-methoxy-3-phenylsulfanylpropyl)sulfanylbenzene

(2-methoxy-3-phenylsulfanylpropyl)sulfanylbenzene (PubChem CID 12836419) has the molecular formula C16H18OS2 and a molecular weight of 290.45 g/mol. Its IUPAC name is (2-methoxy-3-phenylsulfanylpropyl)sulfanylbenzene.

Molecular Properties

Compound Name(2-methoxy-3-phenylsulfanylpropyl)sulfanylbenzene
PubChem CID12836419
Molecular FormulaC16H18OS2
Molecular Weight290.45 g/mol
Exact Mass290.08
IUPAC Name(2-methoxy-3-phenylsulfanylpropyl)sulfanylbenzene
SMILESCOC(CSc1ccccc1)CSc1ccccc1
InChIInChI=1S/C16H18OS2/c1-17-14(12-18-15-8-4-2-5-9-15)13-19-16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3
InChIKeyPCXMAXJMJOHGAX-UHFFFAOYSA-N
XLogP4.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Phenylthio)-2-propanol
CID 99788
2-((Phenylsulfanyl)methyl)oxirane
CID 11094998
((2-Hydroxy-3-(phenylsulfanyl)propyl)sulfanyl)benzene
CID 12671306
1,3-Bis(phenylsulfanyl)propan-2-one
CID 2320201
1,4-Bis(phenylthio)-2-butene
CID 5373859
Benzene, 1,1'-[butylidenebis(thio)]bis-
CID 10989463
[1-(Phenylthio)ethylthio]benzene
CID 11053951
Benzene, 1,1'-selenobis(2,1-ethanediylthio)bis-
CID 171406
4-Phenylsulfanylbutylsulfanylbenzene
CID 220179
[(2-Ethoxyethyl)sulfanyl]benzene
CID 271506
Acetic acid, bis(phenylthio)-, ethyl ester
CID 11483537
2-Propanone, 1,1-bis(phenylthio)-
CID 538952

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-3-phenylsulfanylpropyl)sulfanylbenzene?
The IUPAC name of (2-methoxy-3-phenylsulfanylpropyl)sulfanylbenzene (CID 12836419) is (2-methoxy-3-phenylsulfanylpropyl)sulfanylbenzene.
What is the SMILES notation for (2-methoxy-3-phenylsulfanylpropyl)sulfanylbenzene?
The canonical SMILES for (2-methoxy-3-phenylsulfanylpropyl)sulfanylbenzene is COC(CSc1ccccc1)CSc1ccccc1.
What is the InChIKey of (2-methoxy-3-phenylsulfanylpropyl)sulfanylbenzene?
The InChIKey is PCXMAXJMJOHGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18OS2/c1-17-14(12-18-15-8-4-2-5-9-15)13-19-16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3.
What are the key properties of (2-methoxy-3-phenylsulfanylpropyl)sulfanylbenzene?
(2-methoxy-3-phenylsulfanylpropyl)sulfanylbenzene has a molecular weight of 290.45 g/mol, XLogP of 4.59, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-3-phenylsulfanylpropyl)sulfanylbenzene is sourced from PubChem (CID 12836419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).