2-methoxy-3-methylbenzenethiol

C8H10OS — CID 91621270

IUPAC2-methoxy-3-methylbenzenethiol
SMILESCOc1c(C)cccc1S
InChIInChI=1S/C8H10OS/c1-6-4-3-5-7(10)8(6)9-2/h3-5,10H,1-2H3
InChIKeyKJGSKEXBHLIWCR-UHFFFAOYSA-N
MW154.23 g/mol
LogP2.29
Rot. Bonds1

About 2-methoxy-3-methylbenzenethiol

2-methoxy-3-methylbenzenethiol (PubChem CID 91621270) has the molecular formula C8H10OS and a molecular weight of 154.23 g/mol. Its IUPAC name is 2-methoxy-3-methylbenzenethiol.

Molecular Properties

Compound Name2-methoxy-3-methylbenzenethiol
PubChem CID91621270
Molecular FormulaC8H10OS
Molecular Weight154.23 g/mol
Exact Mass154.05
IUPAC Name2-methoxy-3-methylbenzenethiol
SMILESCOc1c(C)cccc1S
InChIInChI=1S/C8H10OS/c1-6-4-3-5-7(10)8(6)9-2/h3-5,10H,1-2H3
InChIKeyKJGSKEXBHLIWCR-UHFFFAOYSA-N
XLogP2.29
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.23
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-Methylanisole
CID 33637
Thioguaiacol
CID 23642
2-Vinylanisole
CID 61153
2-Allylanisole
CID 97101
1-Ethenoxy-2-methylbenzene
CID 10749231
6-Methoxy-m-toluenesulfonyl chloride
CID 145149
2-(Methylthiomethyl)anisole
CID 4090566
Benzene, 1-ethyl-2-methoxy-
CID 84654
1-Methoxy-2-propylbenzene
CID 12523792
1-Isopropenyl-2-methoxybenzene
CID 517803
3,5-Dimethyl-4-methoxythiophenol
CID 2758578
2-Methoxy-4-methylbenzenethiol
CID 12772784

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-methylbenzenethiol?
The IUPAC name of 2-methoxy-3-methylbenzenethiol (CID 91621270) is 2-methoxy-3-methylbenzenethiol.
What is the SMILES notation for 2-methoxy-3-methylbenzenethiol?
The canonical SMILES for 2-methoxy-3-methylbenzenethiol is COc1c(C)cccc1S.
What is the InChIKey of 2-methoxy-3-methylbenzenethiol?
The InChIKey is KJGSKEXBHLIWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10OS/c1-6-4-3-5-7(10)8(6)9-2/h3-5,10H,1-2H3.
What are the key properties of 2-methoxy-3-methylbenzenethiol?
2-methoxy-3-methylbenzenethiol has a molecular weight of 154.23 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-methylbenzenethiol is sourced from PubChem (CID 91621270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).