[5-methyl-2-(4-methylsulfanylphenyl)sulfanylphenyl]methanol

C15H16OS2 — CID 54147084

IUPAC[5-methyl-2-(4-methylsulfanylphenyl)sulfanylphenyl]methanol
SMILESCSc1ccc(Sc2ccc(C)cc2CO)cc1
InChIInChI=1S/C15H16OS2/c1-11-3-8-15(12(9-11)10-16)18-14-6-4-13(17-2)5-7-14/h3-9,16H,10H2,1-2H3
InChIKeyOFDNPBRTSLATLT-UHFFFAOYSA-N
MW276.43 g/mol
LogP4.36
Rot. Bonds4

About [5-methyl-2-(4-methylsulfanylphenyl)sulfanylphenyl]methanol

[5-methyl-2-(4-methylsulfanylphenyl)sulfanylphenyl]methanol (PubChem CID 54147084) has the molecular formula C15H16OS2 and a molecular weight of 276.43 g/mol. Its IUPAC name is [5-methyl-2-(4-methylsulfanylphenyl)sulfanylphenyl]methanol.

Molecular Properties

Compound Name[5-methyl-2-(4-methylsulfanylphenyl)sulfanylphenyl]methanol
PubChem CID54147084
Molecular FormulaC15H16OS2
Molecular Weight276.43 g/mol
Exact Mass276.06
IUPAC Name[5-methyl-2-(4-methylsulfanylphenyl)sulfanylphenyl]methanol
SMILESCSc1ccc(Sc2ccc(C)cc2CO)cc1
InChIInChI=1S/C15H16OS2/c1-11-3-8-15(12(9-11)10-16)18-14-6-4-13(17-2)5-7-14/h3-9,16H,10H2,1-2H3
InChIKeyOFDNPBRTSLATLT-UHFFFAOYSA-N
XLogP4.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2,4-difluorophenyl)sulfanyl-5-methylphenyl]methanol
CID 114055364
2-(5-methyl-2-phenylsulfanylphenyl)acetic acid
CID 12539105
[2,4-bis(methylsulfanyl)phenyl]methanol
CID 54501035
[2-[(5-bromo-2-pyridinyl)sulfanyl]-5-methylphenyl]methanol
CID 114055373
[2-(4-methoxyphenyl)sulfanyl-5-methylphenyl]methanamine
CID 107931436
2,4-dimethyl-1-(4-methylphenyl)sulfanylbenzene
CID 15456660
4-methyl-1-[(4-methyl-2-phenylsulfanylphenyl)disulfanyl]-2-phenylsulfanylbenzene
CID 22351744
[2-methyl-4-(4-methylsulfanylphenoxy)phenyl]methanol
CID 63649361
2-[2-bromo-2-(4-methylsulfanylphenyl)ethyl]-1,4-dimethylbenzene
CID 79206222
[5-bromo-2-(3,4-difluorophenyl)sulfanylphenyl]methanol
CID 114062105
2-(hydroxymethyl)-4-methylsulfanylphenol
CID 11789642
ethane;2-ethyl-4-methyl-1-methylsulfanylbenzene
CID 145419397

Frequently Asked Questions

What is the IUPAC name of [5-methyl-2-(4-methylsulfanylphenyl)sulfanylphenyl]methanol?
The IUPAC name of [5-methyl-2-(4-methylsulfanylphenyl)sulfanylphenyl]methanol (CID 54147084) is [5-methyl-2-(4-methylsulfanylphenyl)sulfanylphenyl]methanol.
What is the SMILES notation for [5-methyl-2-(4-methylsulfanylphenyl)sulfanylphenyl]methanol?
The canonical SMILES for [5-methyl-2-(4-methylsulfanylphenyl)sulfanylphenyl]methanol is CSc1ccc(Sc2ccc(C)cc2CO)cc1.
What is the InChIKey of [5-methyl-2-(4-methylsulfanylphenyl)sulfanylphenyl]methanol?
The InChIKey is OFDNPBRTSLATLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16OS2/c1-11-3-8-15(12(9-11)10-16)18-14-6-4-13(17-2)5-7-14/h3-9,16H,10H2,1-2H3.
What are the key properties of [5-methyl-2-(4-methylsulfanylphenyl)sulfanylphenyl]methanol?
[5-methyl-2-(4-methylsulfanylphenyl)sulfanylphenyl]methanol has a molecular weight of 276.43 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-2-(4-methylsulfanylphenyl)sulfanylphenyl]methanol is sourced from PubChem (CID 54147084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).