2-methoxy-4-methylsulfanylphenol

C8H10O2S — CID 11423824

IUPAC2-methoxy-4-methylsulfanylphenol
SMILESCOc1cc(SC)ccc1O
InChIInChI=1S/C8H10O2S/c1-10-8-5-6(11-2)3-4-7(8)9/h3-5,9H,1-2H3
InChIKeyPKJBKCJDRDHTGZ-UHFFFAOYSA-N
MW170.23 g/mol
LogP2.12
Rot. Bonds2

About 2-methoxy-4-methylsulfanylphenol

2-methoxy-4-methylsulfanylphenol (PubChem CID 11423824) has the molecular formula C8H10O2S and a molecular weight of 170.23 g/mol. Its IUPAC name is 2-methoxy-4-methylsulfanylphenol.

Molecular Properties

Compound Name2-methoxy-4-methylsulfanylphenol
PubChem CID11423824
Molecular FormulaC8H10O2S
Molecular Weight170.23 g/mol
Exact Mass170.04
IUPAC Name2-methoxy-4-methylsulfanylphenol
SMILESCOc1cc(SC)ccc1O
InChIInChI=1S/C8H10O2S/c1-10-8-5-6(11-2)3-4-7(8)9/h3-5,9H,1-2H3
InChIKeyPKJBKCJDRDHTGZ-UHFFFAOYSA-N
XLogP2.12
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-4-hydroxy-3-(4-hydroxy-3-methoxyphenyl)sulfanylpent-3-en-2-one
CID 10777326
2-methoxy-4-methylsulfanylbenzonitrile
CID 91881052
1-(2-methoxy-4-methylsulfanylphenyl)propan-2-ol
CID 117303281
2-methoxy-4-(1-methylsulfanylethyl)phenol
CID 86126303
ethene;2-methoxy-N,N-dimethyl-4-methylsulfanylaniline
CID 144805204
bis[2-(4-hydroxy-3-methoxyphenyl)sulfanylethyl] propanedioate
CID 54504553
2-[4-(4-hydroxy-3-methoxyphenyl)sulfanylphenyl]acetic acid
CID 91879791
4-(2-chloro-4-methylphenyl)sulfanyl-2-methoxyphenol
CID 143476440
2-fluoro-1,3-dimethoxy-5-methylsulfanylbenzene
CID 130925961
sodium;hydride;2-methoxy-4-methylphenol
CID 174706082
2-methoxy-4-methylsulfanyl-N-propan-2-ylbenzamide
CID 669888
3-(2-methoxy-4-methylsulfanylphenyl)propanoic acid
CID 91881318

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-methylsulfanylphenol?
The IUPAC name of 2-methoxy-4-methylsulfanylphenol (CID 11423824) is 2-methoxy-4-methylsulfanylphenol.
What is the SMILES notation for 2-methoxy-4-methylsulfanylphenol?
The canonical SMILES for 2-methoxy-4-methylsulfanylphenol is COc1cc(SC)ccc1O.
What is the InChIKey of 2-methoxy-4-methylsulfanylphenol?
The InChIKey is PKJBKCJDRDHTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2S/c1-10-8-5-6(11-2)3-4-7(8)9/h3-5,9H,1-2H3.
What are the key properties of 2-methoxy-4-methylsulfanylphenol?
2-methoxy-4-methylsulfanylphenol has a molecular weight of 170.23 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-methylsulfanylphenol is sourced from PubChem (CID 11423824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).