2-(2-phenoxyphenyl)ethanethiol

C14H14OS — CID 164663876

IUPAC2-(2-phenoxyphenyl)ethanethiol
SMILESSCCc1ccccc1Oc1ccccc1
InChIInChI=1S/C14H14OS/c16-11-10-12-6-4-5-9-14(12)15-13-7-2-1-3-8-13/h1-9,16H,10-11H2
InChIKeyBSAWEULFZXXJLZ-UHFFFAOYSA-N
MW230.33 g/mol
LogP3.95
Rot. Bonds4

About 2-(2-phenoxyphenyl)ethanethiol

2-(2-phenoxyphenyl)ethanethiol (PubChem CID 164663876) has the molecular formula C14H14OS and a molecular weight of 230.33 g/mol. Its IUPAC name is 2-(2-phenoxyphenyl)ethanethiol.

Molecular Properties

Compound Name2-(2-phenoxyphenyl)ethanethiol
PubChem CID164663876
Molecular FormulaC14H14OS
Molecular Weight230.33 g/mol
Exact Mass230.08
IUPAC Name2-(2-phenoxyphenyl)ethanethiol
SMILESSCCc1ccccc1Oc1ccccc1
InChIInChI=1S/C14H14OS/c16-11-10-12-6-4-5-9-14(12)15-13-7-2-1-3-8-13/h1-9,16H,10-11H2
InChIKeyBSAWEULFZXXJLZ-UHFFFAOYSA-N
XLogP3.95
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 53.95
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

1-benzyl-2-phenoxybenzene;phosphane
CID 174871749
3-(2-phenoxyphenyl)propan-1-amine;phosphane
CID 175469418
methanidyl-[2-(2-phenoxyphenyl)ethyl]azanium
CID 91541094
1-(3,3-dimethylbutyl)-2-phenoxybenzene
CID 158619324
1-pentadecyl-2-phenoxybenzene
CID 101290758
4-[2-(2-phenoxyphenyl)ethyl]benzoic acid
CID 22400838
[1-amino-2-(2-phenoxyphenyl)ethylidene]azanium
CID 6347179
dimethyl-[(2-phenoxyphenyl)methyl]sulfanium chloride
CID 88775761
molecular nitrogen;1-phenoxy-2-prop-2-enylbenzene
CID 70452460
3-[2-[2-[2-(4-aminophenoxy)phenyl]ethyl]phenoxy]aniline
CID 67120556
[2-[(2-phenoxyphenyl)methoxy]phenyl]methanamine
CID 150298277
1,2-diphenoxy-3-propylbenzene
CID 18381159

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenoxyphenyl)ethanethiol?
The IUPAC name of 2-(2-phenoxyphenyl)ethanethiol (CID 164663876) is 2-(2-phenoxyphenyl)ethanethiol.
What is the SMILES notation for 2-(2-phenoxyphenyl)ethanethiol?
The canonical SMILES for 2-(2-phenoxyphenyl)ethanethiol is SCCc1ccccc1Oc1ccccc1.
What is the InChIKey of 2-(2-phenoxyphenyl)ethanethiol?
The InChIKey is BSAWEULFZXXJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14OS/c16-11-10-12-6-4-5-9-14(12)15-13-7-2-1-3-8-13/h1-9,16H,10-11H2.
What are the key properties of 2-(2-phenoxyphenyl)ethanethiol?
2-(2-phenoxyphenyl)ethanethiol has a molecular weight of 230.33 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenoxyphenyl)ethanethiol is sourced from PubChem (CID 164663876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).