1-methylsulfanyl-4-[2-(4-methylsulfanylphenoxy)ethoxy]benzene

C16H18O2S2 — CID 70368066

IUPAC1-methylsulfanyl-4-[2-(4-methylsulfanylphenoxy)ethoxy]benzene
SMILESCSc1ccc(OCCOc2ccc(SC)cc2)cc1
InChIInChI=1S/C16H18O2S2/c1-19-15-7-3-13(4-8-15)17-11-12-18-14-5-9-16(20-2)10-6-14/h3-10H,11-12H2,1-2H3
InChIKeyYUKYHJUGHXEOBV-UHFFFAOYSA-N
MW306.45 g/mol
LogP4.59
Rot. Bonds7

About 1-methylsulfanyl-4-[2-(4-methylsulfanylphenoxy)ethoxy]benzene

1-methylsulfanyl-4-[2-(4-methylsulfanylphenoxy)ethoxy]benzene (PubChem CID 70368066) has the molecular formula C16H18O2S2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 1-methylsulfanyl-4-[2-(4-methylsulfanylphenoxy)ethoxy]benzene.

Molecular Properties

Compound Name1-methylsulfanyl-4-[2-(4-methylsulfanylphenoxy)ethoxy]benzene
PubChem CID70368066
Molecular FormulaC16H18O2S2
Molecular Weight306.45 g/mol
Exact Mass306.07
IUPAC Name1-methylsulfanyl-4-[2-(4-methylsulfanylphenoxy)ethoxy]benzene
SMILESCSc1ccc(OCCOc2ccc(SC)cc2)cc1
InChIInChI=1S/C16H18O2S2/c1-19-15-7-3-13(4-8-15)17-11-12-18-14-5-9-16(20-2)10-6-14/h3-10H,11-12H2,1-2H3
InChIKeyYUKYHJUGHXEOBV-UHFFFAOYSA-N
XLogP4.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(4-methylsulfanylphenoxy)ethoxy]aniline
CID 63648995
1-(2-ethoxyethoxy)-4-methylsulfanylbenzene
CID 57317041
1-[2-(2-chloroethoxy)ethoxy]-4-methylsulfanylbenzene
CID 63665656
1-(6-bromohexoxy)-4-methylsulfanylbenzene
CID 18921861
6-(4-methylsulfanylphenoxy)hexan-1-ol
CID 103867882
5-(4-methylsulfanylphenoxy)pentan-1-amine
CID 63649657
3-(4-methylsulfanylphenoxy)propanal
CID 63648707
2-[4-[2-(4-methylsulfanylphenoxy)ethoxy]phenyl]-1,3-dithiolane
CID 19989714
5-(4-methylsulfanylphenoxy)pentan-2-one
CID 63648202
1-chloro-4-[2-(4-methylsulfanylphenyl)ethoxy]benzene
CID 142678583
1-methylsulfanyl-4-[4-(4-propan-2-yloxybutoxy)butoxy]benzene
CID 21434055
N-[2-(4-methoxyphenoxy)ethyl]-4-methylsulfanylaniline
CID 60681036

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanyl-4-[2-(4-methylsulfanylphenoxy)ethoxy]benzene?
The IUPAC name of 1-methylsulfanyl-4-[2-(4-methylsulfanylphenoxy)ethoxy]benzene (CID 70368066) is 1-methylsulfanyl-4-[2-(4-methylsulfanylphenoxy)ethoxy]benzene.
What is the SMILES notation for 1-methylsulfanyl-4-[2-(4-methylsulfanylphenoxy)ethoxy]benzene?
The canonical SMILES for 1-methylsulfanyl-4-[2-(4-methylsulfanylphenoxy)ethoxy]benzene is CSc1ccc(OCCOc2ccc(SC)cc2)cc1.
What is the InChIKey of 1-methylsulfanyl-4-[2-(4-methylsulfanylphenoxy)ethoxy]benzene?
The InChIKey is YUKYHJUGHXEOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2S2/c1-19-15-7-3-13(4-8-15)17-11-12-18-14-5-9-16(20-2)10-6-14/h3-10H,11-12H2,1-2H3.
What are the key properties of 1-methylsulfanyl-4-[2-(4-methylsulfanylphenoxy)ethoxy]benzene?
1-methylsulfanyl-4-[2-(4-methylsulfanylphenoxy)ethoxy]benzene has a molecular weight of 306.45 g/mol, XLogP of 4.59, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanyl-4-[2-(4-methylsulfanylphenoxy)ethoxy]benzene is sourced from PubChem (CID 70368066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).