3,5-bis(methylsulfanyl)-2,4,6-tripropylphenol

C17H28OS2 — CID 23311682

IUPAC3,5-bis(methylsulfanyl)-2,4,6-tripropylphenol
SMILESCCCc1c(O)c(CCC)c(SC)c(CCC)c1SC
InChIInChI=1S/C17H28OS2/c1-6-9-12-15(18)13(10-7-2)17(20-5)14(11-8-3)16(12)19-4/h18H,6-11H2,1-5H3
InChIKeySRMUJIJJMKNMSF-UHFFFAOYSA-N
MW312.54 g/mol
LogP5.69
Rot. Bonds8

About 3,5-bis(methylsulfanyl)-2,4,6-tripropylphenol

3,5-bis(methylsulfanyl)-2,4,6-tripropylphenol (PubChem CID 23311682) has the molecular formula C17H28OS2 and a molecular weight of 312.54 g/mol. Its IUPAC name is 3,5-bis(methylsulfanyl)-2,4,6-tripropylphenol.

Molecular Properties

Compound Name3,5-bis(methylsulfanyl)-2,4,6-tripropylphenol
PubChem CID23311682
Molecular FormulaC17H28OS2
Molecular Weight312.54 g/mol
Exact Mass312.16
IUPAC Name3,5-bis(methylsulfanyl)-2,4,6-tripropylphenol
SMILESCCCc1c(O)c(CCC)c(SC)c(CCC)c1SC
InChIInChI=1S/C17H28OS2/c1-6-9-12-15(18)13(10-7-2)17(20-5)14(11-8-3)16(12)19-4/h18H,6-11H2,1-5H3
InChIKeySRMUJIJJMKNMSF-UHFFFAOYSA-N
XLogP5.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.54
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-Di-t-butyl-4-(3-hexyl-thiopropyl)phenol sulfide
CID 129770191
2,6-Dimethyl-3-(methylsulfanyl)phenol
CID 13199348
2,4,6-Trimethyl-3-methylsulfanylphenol
CID 13651382
2,4,6-Trimethyl-3,5-bis(methylsulfanyl)phenol
CID 13651383
2,6-Dimethyl-3,5-bis(methylsulfanyl)phenol
CID 20272474
3,5-Bis(ethylsulfanyl)-2,6-dimethylphenol
CID 20272492
2-Ethyl-4,6-dimethyl-3,5-bis(methylsulfanyl)phenol
CID 20272499
3-Ethyl-5-methyl-2,4,6-tris(methylsulfanyl)phenol
CID 20272501
2-Ethyl-6-methyl-3,5-bis(methylsulfanyl)phenol
CID 20272504
2,6-Diethyl-3,5-bis(methylsulfanyl)phenol
CID 20272505
2,4,6-Triethyl-3-ethylsulfanylphenol
CID 23311675
2,6-Dimethyl-3,5-bis(methylsulfanyl)-4-octadecylphenol
CID 23311676

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(methylsulfanyl)-2,4,6-tripropylphenol?
The IUPAC name of 3,5-bis(methylsulfanyl)-2,4,6-tripropylphenol (CID 23311682) is 3,5-bis(methylsulfanyl)-2,4,6-tripropylphenol.
What is the SMILES notation for 3,5-bis(methylsulfanyl)-2,4,6-tripropylphenol?
The canonical SMILES for 3,5-bis(methylsulfanyl)-2,4,6-tripropylphenol is CCCc1c(O)c(CCC)c(SC)c(CCC)c1SC.
What is the InChIKey of 3,5-bis(methylsulfanyl)-2,4,6-tripropylphenol?
The InChIKey is SRMUJIJJMKNMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28OS2/c1-6-9-12-15(18)13(10-7-2)17(20-5)14(11-8-3)16(12)19-4/h18H,6-11H2,1-5H3.
What are the key properties of 3,5-bis(methylsulfanyl)-2,4,6-tripropylphenol?
3,5-bis(methylsulfanyl)-2,4,6-tripropylphenol has a molecular weight of 312.54 g/mol, XLogP of 5.69, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(methylsulfanyl)-2,4,6-tripropylphenol is sourced from PubChem (CID 23311682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).