3-ethyl-4-methyl-5-phenylbenzenethiol

C15H16S — CID 143857621

IUPAC3-ethyl-4-methyl-5-phenylbenzenethiol
SMILESCCc1cc(S)cc(-c2ccccc2)c1C
InChIInChI=1S/C15H16S/c1-3-12-9-14(16)10-15(11(12)2)13-7-5-4-6-8-13/h4-10,16H,3H2,1-2H3
InChIKeyDWRLSWQQYXHUOD-UHFFFAOYSA-N
MW228.36 g/mol
LogP4.51
Rot. Bonds2

About 3-ethyl-4-methyl-5-phenylbenzenethiol

3-ethyl-4-methyl-5-phenylbenzenethiol (PubChem CID 143857621) has the molecular formula C15H16S and a molecular weight of 228.36 g/mol. Its IUPAC name is 3-ethyl-4-methyl-5-phenylbenzenethiol.

Molecular Properties

Compound Name3-ethyl-4-methyl-5-phenylbenzenethiol
PubChem CID143857621
Molecular FormulaC15H16S
Molecular Weight228.36 g/mol
Exact Mass228.10
IUPAC Name3-ethyl-4-methyl-5-phenylbenzenethiol
SMILESCCc1cc(S)cc(-c2ccccc2)c1C
InChIInChI=1S/C15H16S/c1-3-12-9-14(16)10-15(11(12)2)13-7-5-4-6-8-13/h4-10,16H,3H2,1-2H3
InChIKeyDWRLSWQQYXHUOD-UHFFFAOYSA-N
XLogP4.51
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 ≤ 54.51
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-ethyl-2,4-dimethyl-3,5-diphenylbenzene
CID 173306034
2,3-diethyl-1,4-diphenylbenzene
CID 59383229
2-ethyl-1-phenyl-4-propylbenzene
CID 123533420
3-ethyl-5-fluoro-4-methylbenzenethiol
CID 91874505
(2,5-dimethyl-3-phenylphenyl)methanol
CID 145013293
1-ethyl-2,4-diphenylbenzene
CID 59359551
3-ethyl-4-phenylbenzenesulfonyl chloride
CID 87181125
2,3-dimethyl-4,6-diphenylaniline
CID 139240980
ethane;bis(1-ethyl-2-phenylbenzene);propane
CID 145452261
(2,3,4-trimethyl-5-phenylphenyl)methanol
CID 87491208
4-(3-ethyl-2-methyl-6-phenylphenyl)phenol
CID 139603227
2,4-dimethyl-1,3,5-triphenylbenzene
CID 54408386

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-methyl-5-phenylbenzenethiol?
The IUPAC name of 3-ethyl-4-methyl-5-phenylbenzenethiol (CID 143857621) is 3-ethyl-4-methyl-5-phenylbenzenethiol.
What is the SMILES notation for 3-ethyl-4-methyl-5-phenylbenzenethiol?
The canonical SMILES for 3-ethyl-4-methyl-5-phenylbenzenethiol is CCc1cc(S)cc(-c2ccccc2)c1C.
What is the InChIKey of 3-ethyl-4-methyl-5-phenylbenzenethiol?
The InChIKey is DWRLSWQQYXHUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16S/c1-3-12-9-14(16)10-15(11(12)2)13-7-5-4-6-8-13/h4-10,16H,3H2,1-2H3.
What are the key properties of 3-ethyl-4-methyl-5-phenylbenzenethiol?
3-ethyl-4-methyl-5-phenylbenzenethiol has a molecular weight of 228.36 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-methyl-5-phenylbenzenethiol is sourced from PubChem (CID 143857621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).