1-[2-(2-methylphenyl)phenyl]ethanethiol

C15H16S — CID 173178186

IUPAC1-[2-(2-methylphenyl)phenyl]ethanethiol
SMILESCc1ccccc1-c1ccccc1C(C)S
InChIInChI=1S/C15H16S/c1-11-7-3-4-8-13(11)15-10-6-5-9-14(15)12(2)16/h3-10,12,16H,1-2H3
InChIKeyUBPPQVMNKNZJNC-UHFFFAOYSA-N
MW228.36 g/mol
LogP4.65
Rot. Bonds2

About 1-[2-(2-methylphenyl)phenyl]ethanethiol

1-[2-(2-methylphenyl)phenyl]ethanethiol (PubChem CID 173178186) has the molecular formula C15H16S and a molecular weight of 228.36 g/mol. Its IUPAC name is 1-[2-(2-methylphenyl)phenyl]ethanethiol.

Molecular Properties

Compound Name1-[2-(2-methylphenyl)phenyl]ethanethiol
PubChem CID173178186
Molecular FormulaC15H16S
Molecular Weight228.36 g/mol
Exact Mass228.10
IUPAC Name1-[2-(2-methylphenyl)phenyl]ethanethiol
SMILESCc1ccccc1-c1ccccc1C(C)S
InChIInChI=1S/C15H16S/c1-11-7-3-4-8-13(11)15-10-6-5-9-14(15)12(2)16/h3-10,12,16H,1-2H3
InChIKeyUBPPQVMNKNZJNC-UHFFFAOYSA-N
XLogP4.65
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-2-(2-pentan-2-ylphenyl)benzene
CID 156706346
ethene;1-methyl-2-(2-methylphenyl)benzene
CID 145078997
2-iodo-1-(2-methylphenyl)-3-propan-2-ylbenzene
CID 139908776
dimethylsilane;1-methyl-2-(2-methylphenyl)benzene
CID 162166796
1-methyl-2-[2-[4-(2-methylphenyl)phenyl]phenyl]benzene
CID 58892394
1-(2-bromophenyl)ethanethiol
CID 43124084
(1R)-1-(2-iodophenyl)ethanethiol
CID 87431963
carbonic acid;1-methyl-2-(2-methylphenyl)benzene
CID 67741238
1-(3-methyltriphenylen-2-yl)ethanethiol
CID 174283544
(1S)-1-(2-methoxyphenyl)ethanethiol
CID 28974918
3-(2-methylphenyl)-2-propan-2-ylpyridine
CID 90162287
3-methyl-2-(2-methylphenyl)benzenethiol
CID 5255685

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylphenyl)phenyl]ethanethiol?
The IUPAC name of 1-[2-(2-methylphenyl)phenyl]ethanethiol (CID 173178186) is 1-[2-(2-methylphenyl)phenyl]ethanethiol.
What is the SMILES notation for 1-[2-(2-methylphenyl)phenyl]ethanethiol?
The canonical SMILES for 1-[2-(2-methylphenyl)phenyl]ethanethiol is Cc1ccccc1-c1ccccc1C(C)S.
What is the InChIKey of 1-[2-(2-methylphenyl)phenyl]ethanethiol?
The InChIKey is UBPPQVMNKNZJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16S/c1-11-7-3-4-8-13(11)15-10-6-5-9-14(15)12(2)16/h3-10,12,16H,1-2H3.
What are the key properties of 1-[2-(2-methylphenyl)phenyl]ethanethiol?
1-[2-(2-methylphenyl)phenyl]ethanethiol has a molecular weight of 228.36 g/mol, XLogP of 4.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylphenyl)phenyl]ethanethiol is sourced from PubChem (CID 173178186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).