(4-ethoxy-2-methylphenyl)methanethiol

C10H14OS — CID 83798448

IUPAC(4-ethoxy-2-methylphenyl)methanethiol
SMILESCCOc1ccc(CS)c(C)c1
InChIInChI=1S/C10H14OS/c1-3-11-10-5-4-9(7-12)8(2)6-10/h4-6,12H,3,7H2,1-2H3
InChIKeySFFXCYIJNICYIP-UHFFFAOYSA-N
MW182.29 g/mol
LogP2.82
Rot. Bonds3

About (4-ethoxy-2-methylphenyl)methanethiol

(4-ethoxy-2-methylphenyl)methanethiol (PubChem CID 83798448) has the molecular formula C10H14OS and a molecular weight of 182.29 g/mol. Its IUPAC name is (4-ethoxy-2-methylphenyl)methanethiol.

Molecular Properties

Compound Name(4-ethoxy-2-methylphenyl)methanethiol
PubChem CID83798448
Molecular FormulaC10H14OS
Molecular Weight182.29 g/mol
Exact Mass182.08
IUPAC Name(4-ethoxy-2-methylphenyl)methanethiol
SMILESCCOc1ccc(CS)c(C)c1
InChIInChI=1S/C10H14OS/c1-3-11-10-5-4-9(7-12)8(2)6-10/h4-6,12H,3,7H2,1-2H3
InChIKeySFFXCYIJNICYIP-UHFFFAOYSA-N
XLogP2.82
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 52.82
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

3-(4-ethoxy-2-methylphenyl)propane-1-thiol
CID 83798450
3-(4-ethoxy-2-methylphenyl)-N,N-dimethylpropan-1-amine
CID 170866578
1-(4-ethoxy-2-methylphenyl)butan-2-amine
CID 13209708
4-ethoxy-2-methyl-1-[(Z)-pent-3-enyl]benzene
CID 83936665
2,6-diethoxyanthracene
CID 12651989
1-(4-ethoxy-2-methylphenyl)heptan-4-amine
CID 83936586
1-[4-(4-ethoxyphenoxy)-2-methylphenyl]-N-methylmethanamine
CID 62128798
N-[1-(4-ethoxy-2-methylphenyl)-2-methylpropan-2-yl]acetamide
CID 13209717
(3-ethoxyphenyl)methanethiol
CID 79885244
2-chloro-4-ethoxy-1-ethylbenzene
CID 21064451
1-[3-(4-ethoxy-2-methylphenyl)propyl]piperazine
CID 83936615
5-ethoxy-N,N,2-trimethylaniline
CID 54263665

Frequently Asked Questions

What is the IUPAC name of (4-ethoxy-2-methylphenyl)methanethiol?
The IUPAC name of (4-ethoxy-2-methylphenyl)methanethiol (CID 83798448) is (4-ethoxy-2-methylphenyl)methanethiol.
What is the SMILES notation for (4-ethoxy-2-methylphenyl)methanethiol?
The canonical SMILES for (4-ethoxy-2-methylphenyl)methanethiol is CCOc1ccc(CS)c(C)c1.
What is the InChIKey of (4-ethoxy-2-methylphenyl)methanethiol?
The InChIKey is SFFXCYIJNICYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14OS/c1-3-11-10-5-4-9(7-12)8(2)6-10/h4-6,12H,3,7H2,1-2H3.
What are the key properties of (4-ethoxy-2-methylphenyl)methanethiol?
(4-ethoxy-2-methylphenyl)methanethiol has a molecular weight of 182.29 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxy-2-methylphenyl)methanethiol is sourced from PubChem (CID 83798448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).