2-(4-propan-2-yloxyphenyl)sulfanylethanethiol

C11H16OS2 — CID 117033741

IUPAC2-(4-propan-2-yloxyphenyl)sulfanylethanethiol
SMILESCC(C)Oc1ccc(SCCS)cc1
InChIInChI=1S/C11H16OS2/c1-9(2)12-10-3-5-11(6-4-10)14-8-7-13/h3-6,9,13H,7-8H2,1-2H3
InChIKeyVTPZCVBJXOKOKU-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.50
Rot. Bonds5

About 2-(4-propan-2-yloxyphenyl)sulfanylethanethiol

2-(4-propan-2-yloxyphenyl)sulfanylethanethiol (PubChem CID 117033741) has the molecular formula C11H16OS2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-(4-propan-2-yloxyphenyl)sulfanylethanethiol.

Molecular Properties

Compound Name2-(4-propan-2-yloxyphenyl)sulfanylethanethiol
PubChem CID117033741
Molecular FormulaC11H16OS2
Molecular Weight228.38 g/mol
Exact Mass228.06
IUPAC Name2-(4-propan-2-yloxyphenyl)sulfanylethanethiol
SMILESCC(C)Oc1ccc(SCCS)cc1
InChIInChI=1S/C11H16OS2/c1-9(2)12-10-3-5-11(6-4-10)14-8-7-13/h3-6,9,13H,7-8H2,1-2H3
InChIKeyVTPZCVBJXOKOKU-UHFFFAOYSA-N
XLogP3.50
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-propan-2-yloxyphenyl)sulfanylacetonitrile
CID 116853805
2-methyl-1-(4-propan-2-yloxyphenyl)sulfanylpropan-2-amine
CID 117032627
N-(2-phenylsulfanylethyl)-4-propan-2-yloxyaniline
CID 79213159
S-(4-propan-2-yloxyphenyl)thiohydroxylamine
CID 117033766
1-[chloro-(4-methylsulfanylphenyl)methyl]-4-propan-2-yloxybenzene
CID 79217227
4-(4-propan-2-yloxyphenyl)sulfanylphenol
CID 134238936
1-bromo-4-(4-propan-2-yloxyphenyl)sulfanylbenzene
CID 137385958
3-(4-methylphenyl)sulfanyl-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 30380045
2-methyl-2-(4-propan-2-yloxyphenyl)sulfanylpropan-1-ol
CID 116852304
1-butan-2-yl-4-propan-2-yloxybenzene
CID 18730967
1-propan-2-yloxy-4-propoxybenzene
CID 57276091
2-(4-bromophenyl)sulfanyl-1-(4-propan-2-yloxyphenyl)ethanone
CID 66054282

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-yloxyphenyl)sulfanylethanethiol?
The IUPAC name of 2-(4-propan-2-yloxyphenyl)sulfanylethanethiol (CID 117033741) is 2-(4-propan-2-yloxyphenyl)sulfanylethanethiol.
What is the SMILES notation for 2-(4-propan-2-yloxyphenyl)sulfanylethanethiol?
The canonical SMILES for 2-(4-propan-2-yloxyphenyl)sulfanylethanethiol is CC(C)Oc1ccc(SCCS)cc1.
What is the InChIKey of 2-(4-propan-2-yloxyphenyl)sulfanylethanethiol?
The InChIKey is VTPZCVBJXOKOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16OS2/c1-9(2)12-10-3-5-11(6-4-10)14-8-7-13/h3-6,9,13H,7-8H2,1-2H3.
What are the key properties of 2-(4-propan-2-yloxyphenyl)sulfanylethanethiol?
2-(4-propan-2-yloxyphenyl)sulfanylethanethiol has a molecular weight of 228.38 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-yloxyphenyl)sulfanylethanethiol is sourced from PubChem (CID 117033741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).