2-[3-[methyl(methylidene)-λ4-sulfanyl]oxyphenyl]sulfanylethanol

C10H14O2S2 — CID 58107240

IUPAC2-[3-[methyl(methylidene)-λ4-sulfanyl]oxyphenyl]sulfanylethanol
SMILESC=S(C)Oc1cccc(SCCO)c1
InChIInChI=1S/C10H14O2S2/c1-14(2)12-9-4-3-5-10(8-9)13-7-6-11/h3-5,8,11H,1,6-7H2,2H3
InChIKeyCYIPDLRTVWSHRU-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.40
Rot. Bonds5

About 2-[3-[methyl(methylidene)-λ4-sulfanyl]oxyphenyl]sulfanylethanol

2-[3-[methyl(methylidene)-λ4-sulfanyl]oxyphenyl]sulfanylethanol (PubChem CID 58107240) has the molecular formula C10H14O2S2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-[3-[methyl(methylidene)-λ4-sulfanyl]oxyphenyl]sulfanylethanol.

Molecular Properties

Compound Name2-[3-[methyl(methylidene)-λ4-sulfanyl]oxyphenyl]sulfanylethanol
PubChem CID58107240
Molecular FormulaC10H14O2S2
Molecular Weight230.35 g/mol
Exact Mass230.04
IUPAC Name2-[3-[methyl(methylidene)-λ4-sulfanyl]oxyphenyl]sulfanylethanol
SMILESC=S(C)Oc1cccc(SCCO)c1
InChIInChI=1S/C10H14O2S2/c1-14(2)12-9-4-3-5-10(8-9)13-7-6-11/h3-5,8,11H,1,6-7H2,2H3
InChIKeyCYIPDLRTVWSHRU-UHFFFAOYSA-N
XLogP2.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methoxyphenyl)sulfanylethanol
CID 2759720
2-[3-(3,3-dimethylbutylsulfanyl)phenyl]sulfanylethanol
CID 158437250
2-[3-(methylaminomethyl)phenyl]sulfanylethanol
CID 66348986
4-(3-methoxyphenyl)sulfanyl-2,2-dimethylbutanenitrile
CID 65176494
2-[2-(3-methylphenyl)sulfanylethoxy]ethanol
CID 61244346
4-(3-methoxyphenyl)sulfanyl-2-(methylamino)butan-1-ol
CID 64805744
3-[2-(3-ethoxyphenyl)sulfanylethoxy]benzoic acid
CID 20994278
2-[7-(2-hydroxyethylsulfanyl)phenazin-2-yl]sulfanylethanol
CID 15048490
1-amino-4-(3-methoxyphenyl)sulfanylbutan-2-ol
CID 64813407
3-(3-hydroxypropylsulfanyl)phenol
CID 70270540
6-(3-methoxyphenyl)sulfanylhexan-3-one
CID 104623576
(2R)-1-(3-methoxyphenyl)sulfanylpropan-2-ol
CID 106933261

Frequently Asked Questions

What is the IUPAC name of 2-[3-[methyl(methylidene)-λ4-sulfanyl]oxyphenyl]sulfanylethanol?
The IUPAC name of 2-[3-[methyl(methylidene)-λ4-sulfanyl]oxyphenyl]sulfanylethanol (CID 58107240) is 2-[3-[methyl(methylidene)-λ4-sulfanyl]oxyphenyl]sulfanylethanol.
What is the SMILES notation for 2-[3-[methyl(methylidene)-λ4-sulfanyl]oxyphenyl]sulfanylethanol?
The canonical SMILES for 2-[3-[methyl(methylidene)-λ4-sulfanyl]oxyphenyl]sulfanylethanol is C=S(C)Oc1cccc(SCCO)c1.
What is the InChIKey of 2-[3-[methyl(methylidene)-λ4-sulfanyl]oxyphenyl]sulfanylethanol?
The InChIKey is CYIPDLRTVWSHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2S2/c1-14(2)12-9-4-3-5-10(8-9)13-7-6-11/h3-5,8,11H,1,6-7H2,2H3.
What are the key properties of 2-[3-[methyl(methylidene)-λ4-sulfanyl]oxyphenyl]sulfanylethanol?
2-[3-[methyl(methylidene)-λ4-sulfanyl]oxyphenyl]sulfanylethanol has a molecular weight of 230.35 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[methyl(methylidene)-λ4-sulfanyl]oxyphenyl]sulfanylethanol is sourced from PubChem (CID 58107240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).