2-ethoxy-2-phenylethanethiol

C10H14OS — CID 151400804

IUPAC2-ethoxy-2-phenylethanethiol
SMILESCCOC(CS)c1ccccc1
InChIInChI=1S/C10H14OS/c1-2-11-10(8-12)9-6-4-3-5-7-9/h3-7,10,12H,2,8H2,1H3
InChIKeyOWLBSMSNJWBRCV-UHFFFAOYSA-N
MW182.29 g/mol
LogP2.69
Rot. Bonds4

About 2-ethoxy-2-phenylethanethiol

2-ethoxy-2-phenylethanethiol (PubChem CID 151400804) has the molecular formula C10H14OS and a molecular weight of 182.29 g/mol. Its IUPAC name is 2-ethoxy-2-phenylethanethiol.

Molecular Properties

Compound Name2-ethoxy-2-phenylethanethiol
PubChem CID151400804
Molecular FormulaC10H14OS
Molecular Weight182.29 g/mol
Exact Mass182.08
IUPAC Name2-ethoxy-2-phenylethanethiol
SMILESCCOC(CS)c1ccccc1
InChIInChI=1S/C10H14OS/c1-2-11-10(8-12)9-6-4-3-5-7-9/h3-7,10,12H,2,8H2,1H3
InChIKeyOWLBSMSNJWBRCV-UHFFFAOYSA-N
XLogP2.69
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 52.69
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

(2R)-2-ethoxy-2-phenylethanol
CID 10654619
1,3,3-triethoxypropylbenzene
CID 3754405
1-ethoxydecylbenzene
CID 71423896
[(1R,3R)-1-bromo-3-ethoxy-3-phenylpropyl]benzene
CID 23248017
1-ethoxy-1-phenylpentan-3-one
CID 3736570
butyl 3-ethoxy-3-phenylpropanoate
CID 174751774
3-[(2-ethoxy-2-phenylethyl)carbamoylamino]propanoic acid
CID 122012065
3,3-diethoxy-2-phenylpropanal
CID 174566751
(1-bromo-2,2-diethoxyethyl)benzene
CID 14140193
(2-ethoxy-1-phenylbutyl)benzene
CID 15499938
(1R)-2,2-diethoxy-1-phenylethanol
CID 24856463
[(1S,2S)-1-ethoxy-2-methoxy-2-phenylethyl]benzene
CID 143834566

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-phenylethanethiol?
The IUPAC name of 2-ethoxy-2-phenylethanethiol (CID 151400804) is 2-ethoxy-2-phenylethanethiol.
What is the SMILES notation for 2-ethoxy-2-phenylethanethiol?
The canonical SMILES for 2-ethoxy-2-phenylethanethiol is CCOC(CS)c1ccccc1.
What is the InChIKey of 2-ethoxy-2-phenylethanethiol?
The InChIKey is OWLBSMSNJWBRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14OS/c1-2-11-10(8-12)9-6-4-3-5-7-9/h3-7,10,12H,2,8H2,1H3.
What are the key properties of 2-ethoxy-2-phenylethanethiol?
2-ethoxy-2-phenylethanethiol has a molecular weight of 182.29 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-phenylethanethiol is sourced from PubChem (CID 151400804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).