5-propan-2-yl-2-(1-sulfanylethyl)phenol

C11H16OS — CID 135213072

IUPAC5-propan-2-yl-2-(1-sulfanylethyl)phenol
SMILESCC(C)c1ccc(C(C)S)c(O)c1
InChIInChI=1S/C11H16OS/c1-7(2)9-4-5-10(8(3)13)11(12)6-9/h4-8,12-13H,1-3H3
InChIKeyQFNASHZUWJQSLX-UHFFFAOYSA-N
MW196.31 g/mol
LogP3.51
Rot. Bonds2

About 5-propan-2-yl-2-(1-sulfanylethyl)phenol

5-propan-2-yl-2-(1-sulfanylethyl)phenol (PubChem CID 135213072) has the molecular formula C11H16OS and a molecular weight of 196.31 g/mol. Its IUPAC name is 5-propan-2-yl-2-(1-sulfanylethyl)phenol.

Molecular Properties

Compound Name5-propan-2-yl-2-(1-sulfanylethyl)phenol
PubChem CID135213072
Molecular FormulaC11H16OS
Molecular Weight196.31 g/mol
Exact Mass196.09
IUPAC Name5-propan-2-yl-2-(1-sulfanylethyl)phenol
SMILESCC(C)c1ccc(C(C)S)c(O)c1
InChIInChI=1S/C11H16OS/c1-7(2)9-4-5-10(8(3)13)11(12)6-9/h4-8,12-13H,1-3H3
InChIKeyQFNASHZUWJQSLX-UHFFFAOYSA-N
XLogP3.51
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.31
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1-hydroxypropan-2-yl)-5-propan-2-ylphenol
CID 117284776
2-chloro-5-propan-2-ylphenol
CID 59596487
1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylphenol;5-methyl-2-propan-2-ylphenol
CID 68551781
2,5-bis(4-propan-2-ylphenyl)benzene-1,4-diol
CID 121300355
2-[bis(2-hydroxy-5-propan-2-ylphenyl)methyl]-4-propan-2-ylphenol
CID 178165672
2,4-di(propan-2-yl)phenol
CID 18048
2-ethyl-5-propan-2-ylphenol
CID 45096246
5-butan-2-yl-2-[(2S)-butan-2-yl]phenol
CID 71088611
2-(1-aminoethyl)-5-(difluoromethyl)phenol
CID 84660907
methane;4-propan-2-ylphenol
CID 159328733
ethane;5-propan-2-yl-2-prop-1-en-2-ylphenol
CID 171837963
2-chloro-4-(1-sulfanylethyl)phenol
CID 137430767

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-2-(1-sulfanylethyl)phenol?
The IUPAC name of 5-propan-2-yl-2-(1-sulfanylethyl)phenol (CID 135213072) is 5-propan-2-yl-2-(1-sulfanylethyl)phenol.
What is the SMILES notation for 5-propan-2-yl-2-(1-sulfanylethyl)phenol?
The canonical SMILES for 5-propan-2-yl-2-(1-sulfanylethyl)phenol is CC(C)c1ccc(C(C)S)c(O)c1.
What is the InChIKey of 5-propan-2-yl-2-(1-sulfanylethyl)phenol?
The InChIKey is QFNASHZUWJQSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16OS/c1-7(2)9-4-5-10(8(3)13)11(12)6-9/h4-8,12-13H,1-3H3.
What are the key properties of 5-propan-2-yl-2-(1-sulfanylethyl)phenol?
5-propan-2-yl-2-(1-sulfanylethyl)phenol has a molecular weight of 196.31 g/mol, XLogP of 3.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-2-(1-sulfanylethyl)phenol is sourced from PubChem (CID 135213072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).