4-methoxy-2-propan-2-ylbenzenethiol

C10H14OS — CID 130435899

IUPAC4-methoxy-2-propan-2-ylbenzenethiol
SMILESCOc1ccc(S)c(C(C)C)c1
InChIInChI=1S/C10H14OS/c1-7(2)9-6-8(11-3)4-5-10(9)12/h4-7,12H,1-3H3
InChIKeyHJLURAYXRFWXLK-UHFFFAOYSA-N
MW182.29 g/mol
LogP3.11
Rot. Bonds2

About 4-methoxy-2-propan-2-ylbenzenethiol

4-methoxy-2-propan-2-ylbenzenethiol (PubChem CID 130435899) has the molecular formula C10H14OS and a molecular weight of 182.29 g/mol. Its IUPAC name is 4-methoxy-2-propan-2-ylbenzenethiol.

Molecular Properties

Compound Name4-methoxy-2-propan-2-ylbenzenethiol
PubChem CID130435899
Molecular FormulaC10H14OS
Molecular Weight182.29 g/mol
Exact Mass182.08
IUPAC Name4-methoxy-2-propan-2-ylbenzenethiol
SMILESCOc1ccc(S)c(C(C)C)c1
InChIInChI=1S/C10H14OS/c1-7(2)9-6-8(11-3)4-5-10(9)12/h4-7,12H,1-3H3
InChIKeyHJLURAYXRFWXLK-UHFFFAOYSA-N
XLogP3.11
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 53.11
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

bis(4-methoxy-2-propan-2-ylphenyl)iodanium
CID 87757693
4-methoxy-1-propan-2-yl-2-(trifluoromethyl)benzene
CID 20755055
1-ethenyl-4-methoxy-2-propan-2-ylbenzene
CID 22712642
bis(4-methoxy-2-propan-2-ylphenyl)methanone
CID 139968368
2-(4-methoxy-2-propan-2-ylphenyl)acetic acid
CID 82054161
1-(4-chlorophenyl)-4-methoxy-2-propan-2-ylbenzene
CID 59664827
4-methoxy-2,6-di(propan-2-yl)phenol
CID 19994197
3,6-dimethoxy-2-propan-2-ylnaphthalene
CID 71390395
4-methoxy-2-phenyl-1-propan-2-ylbenzene
CID 118344819
1-(5-methoxy-2-methylphenyl)ethanol
CID 84652412
1-(2,4-dimethoxyphenyl)ethanethiol
CID 43124104
ethane;6-methoxy-3-propan-2-ylnaphthalen-2-ol
CID 143419787

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-propan-2-ylbenzenethiol?
The IUPAC name of 4-methoxy-2-propan-2-ylbenzenethiol (CID 130435899) is 4-methoxy-2-propan-2-ylbenzenethiol.
What is the SMILES notation for 4-methoxy-2-propan-2-ylbenzenethiol?
The canonical SMILES for 4-methoxy-2-propan-2-ylbenzenethiol is COc1ccc(S)c(C(C)C)c1.
What is the InChIKey of 4-methoxy-2-propan-2-ylbenzenethiol?
The InChIKey is HJLURAYXRFWXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14OS/c1-7(2)9-6-8(11-3)4-5-10(9)12/h4-7,12H,1-3H3.
What are the key properties of 4-methoxy-2-propan-2-ylbenzenethiol?
4-methoxy-2-propan-2-ylbenzenethiol has a molecular weight of 182.29 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-propan-2-ylbenzenethiol is sourced from PubChem (CID 130435899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).