2-[4-[2-[4-(2-sulfanylethoxy)phenyl]propan-2-yl]phenoxy]ethanethiol

C19H24O2S2 — CID 154369507

IUPAC2-[4-[2-[4-(2-sulfanylethoxy)phenyl]propan-2-yl]phenoxy]ethanethiol
SMILESCC(C)(c1ccc(OCCS)cc1)c1ccc(OCCS)cc1
InChIInChI=1S/C19H24O2S2/c1-19(2,15-3-7-17(8-4-15)20-11-13-22)16-5-9-18(10-6-16)21-12-14-23/h3-10,22-23H,11-14H2,1-2H3
InChIKeyHIGZQLWWMQAPAZ-UHFFFAOYSA-N
MW348.53 g/mol
LogP4.63
Rot. Bonds8

About 2-[4-[2-[4-(2-sulfanylethoxy)phenyl]propan-2-yl]phenoxy]ethanethiol

2-[4-[2-[4-(2-sulfanylethoxy)phenyl]propan-2-yl]phenoxy]ethanethiol (PubChem CID 154369507) has the molecular formula C19H24O2S2 and a molecular weight of 348.53 g/mol. Its IUPAC name is 2-[4-[2-[4-(2-sulfanylethoxy)phenyl]propan-2-yl]phenoxy]ethanethiol.

Molecular Properties

Compound Name2-[4-[2-[4-(2-sulfanylethoxy)phenyl]propan-2-yl]phenoxy]ethanethiol
PubChem CID154369507
Molecular FormulaC19H24O2S2
Molecular Weight348.53 g/mol
Exact Mass348.12
IUPAC Name2-[4-[2-[4-(2-sulfanylethoxy)phenyl]propan-2-yl]phenoxy]ethanethiol
SMILESCC(C)(c1ccc(OCCS)cc1)c1ccc(OCCS)cc1
InChIInChI=1S/C19H24O2S2/c1-19(2,15-3-7-17(8-4-15)20-11-13-22)16-5-9-18(10-6-16)21-12-14-23/h3-10,22-23H,11-14H2,1-2H3
InChIKeyHIGZQLWWMQAPAZ-UHFFFAOYSA-N
XLogP4.63
TPSA18.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.53
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-but-3-enoxy-4-[2-(4-but-3-enoxyphenyl)propan-2-yl]benzene
CID 59168492
CID 58891754
CID 58891754
2-[2-[4-[2-[4-(2-hydroxyethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]ethanol
CID 15607829
1-(3-chloropropoxy)-4-[2-[4-(3-fluoropropoxy)phenyl]propan-2-yl]benzene
CID 121289647
trimethyl-[2-[2-[2-[4-[2-[4-[2-[2-(2-trimethylsilyloxyethoxy)ethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]silane
CID 6421145
1-[2-(2-methylprop-2-enoxy)ethoxy]-4-[2-[4-[2-(2-methylprop-2-enoxy)ethoxy]phenyl]propan-2-yl]benzene
CID 21116627
2-(4-tert-butylphenoxy)-N,N-dimethylethanamine
CID 5261951
2-[4-[2-[4-(2-oxoethoxy)phenyl]propan-2-yl]phenoxy]acetaldehyde
CID 19379183
1-prop-2-ynoxy-4-[2-(4-prop-2-ynoxyphenyl)propan-2-yl]benzene
CID 14716637
2-[2-[4-[2-[4-(2-ethoxyethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]ethanol
CID 176854878
1-(3-chloropropoxy)-4-[2-[4-(3-nitrosopropoxy)phenyl]propan-2-yl]benzene
CID 145063149
N-ethyl-2-[4-(2-phenylpropan-2-yl)phenoxy]ethanamine
CID 39291581

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[4-(2-sulfanylethoxy)phenyl]propan-2-yl]phenoxy]ethanethiol?
The IUPAC name of 2-[4-[2-[4-(2-sulfanylethoxy)phenyl]propan-2-yl]phenoxy]ethanethiol (CID 154369507) is 2-[4-[2-[4-(2-sulfanylethoxy)phenyl]propan-2-yl]phenoxy]ethanethiol.
What is the SMILES notation for 2-[4-[2-[4-(2-sulfanylethoxy)phenyl]propan-2-yl]phenoxy]ethanethiol?
The canonical SMILES for 2-[4-[2-[4-(2-sulfanylethoxy)phenyl]propan-2-yl]phenoxy]ethanethiol is CC(C)(c1ccc(OCCS)cc1)c1ccc(OCCS)cc1.
What is the InChIKey of 2-[4-[2-[4-(2-sulfanylethoxy)phenyl]propan-2-yl]phenoxy]ethanethiol?
The InChIKey is HIGZQLWWMQAPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O2S2/c1-19(2,15-3-7-17(8-4-15)20-11-13-22)16-5-9-18(10-6-16)21-12-14-23/h3-10,22-23H,11-14H2,1-2H3.
What are the key properties of 2-[4-[2-[4-(2-sulfanylethoxy)phenyl]propan-2-yl]phenoxy]ethanethiol?
2-[4-[2-[4-(2-sulfanylethoxy)phenyl]propan-2-yl]phenoxy]ethanethiol has a molecular weight of 348.53 g/mol, XLogP of 4.63, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[4-(2-sulfanylethoxy)phenyl]propan-2-yl]phenoxy]ethanethiol is sourced from PubChem (CID 154369507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).