[2,4-bis(methylsulfanyl)phenyl]methanol

C9H12OS2 — CID 54501035

IUPAC[2,4-bis(methylsulfanyl)phenyl]methanol
SMILESCSc1ccc(CO)c(SC)c1
InChIInChI=1S/C9H12OS2/c1-11-8-4-3-7(6-10)9(5-8)12-2/h3-5,10H,6H2,1-2H3
InChIKeyGONBIQYNOZNODP-UHFFFAOYSA-N
MW200.33 g/mol
LogP2.62
Rot. Bonds3

About [2,4-bis(methylsulfanyl)phenyl]methanol

[2,4-bis(methylsulfanyl)phenyl]methanol (PubChem CID 54501035) has the molecular formula C9H12OS2 and a molecular weight of 200.33 g/mol. Its IUPAC name is [2,4-bis(methylsulfanyl)phenyl]methanol.

Molecular Properties

Compound Name[2,4-bis(methylsulfanyl)phenyl]methanol
PubChem CID54501035
Molecular FormulaC9H12OS2
Molecular Weight200.33 g/mol
Exact Mass200.03
IUPAC Name[2,4-bis(methylsulfanyl)phenyl]methanol
SMILESCSc1ccc(CO)c(SC)c1
InChIInChI=1S/C9H12OS2/c1-11-8-4-3-7(6-10)9(5-8)12-2/h3-5,10H,6H2,1-2H3
InChIKeyGONBIQYNOZNODP-UHFFFAOYSA-N
XLogP2.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-1-[2-(hydroxymethyl)-5-methylsulfanylphenyl]propan-1-one
CID 170837973
2-(hydroxymethyl)-4-methylsulfanylphenol
CID 11789642
1-[2,4-bis(methylsulfanyl)phenyl]-3-bromopropan-2-one
CID 166641936
2-(hydroxymethyl)-5-methylsulfanylbenzonitrile
CID 91881430
O-[2-[2,4-bis(methylsulfanyl)phenyl]ethyl]hydroxylamine
CID 117331169
2-bromo-1-[2-(hydroxymethyl)-4-methylsulfanylphenyl]propan-1-one
CID 170838047
1-[[2,4-bis(methylsulfanyl)phenyl]methyl]piperazine
CID 117424931
4-[[2,4-bis(methylsulfanyl)phenyl]methyl]piperidine
CID 117422419
[5-methyl-2-(4-methylsulfanylphenyl)sulfanylphenyl]methanol
CID 54147084
4-bromo-2-methylsulfanylbenzaldehyde;(4-bromo-2-methylsulfanylphenyl)methanol
CID 158377147
[2-methyl-4-(4-methylsulfanylphenoxy)phenyl]methanol
CID 63649361
(5-chloro-2-methylsulfanylphenyl)methanol
CID 83802070

Frequently Asked Questions

What is the IUPAC name of [2,4-bis(methylsulfanyl)phenyl]methanol?
The IUPAC name of [2,4-bis(methylsulfanyl)phenyl]methanol (CID 54501035) is [2,4-bis(methylsulfanyl)phenyl]methanol.
What is the SMILES notation for [2,4-bis(methylsulfanyl)phenyl]methanol?
The canonical SMILES for [2,4-bis(methylsulfanyl)phenyl]methanol is CSc1ccc(CO)c(SC)c1.
What is the InChIKey of [2,4-bis(methylsulfanyl)phenyl]methanol?
The InChIKey is GONBIQYNOZNODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12OS2/c1-11-8-4-3-7(6-10)9(5-8)12-2/h3-5,10H,6H2,1-2H3.
What are the key properties of [2,4-bis(methylsulfanyl)phenyl]methanol?
[2,4-bis(methylsulfanyl)phenyl]methanol has a molecular weight of 200.33 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4-bis(methylsulfanyl)phenyl]methanol is sourced from PubChem (CID 54501035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).