2-[4-[4-(2-hydroxyethylsulfanyl)phenyl]phenyl]sulfanylethanol

C16H18O2S2 — CID 2192654

IUPAC2-[4-[4-(2-hydroxyethylsulfanyl)phenyl]phenyl]sulfanylethanol
SMILESOCCSc1ccc(-c2ccc(SCCO)cc2)cc1
InChIInChI=1S/C16H18O2S2/c17-9-11-19-15-5-1-13(2-6-15)14-3-7-16(8-4-14)20-12-10-18/h1-8,17-18H,9-12H2
InChIKeyJUWMHECFFUEPCP-UHFFFAOYSA-N
MW306.45 g/mol
LogP3.52
Rot. Bonds7

About 2-[4-[4-(2-hydroxyethylsulfanyl)phenyl]phenyl]sulfanylethanol

2-[4-[4-(2-hydroxyethylsulfanyl)phenyl]phenyl]sulfanylethanol (PubChem CID 2192654) has the molecular formula C16H18O2S2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 2-[4-[4-(2-hydroxyethylsulfanyl)phenyl]phenyl]sulfanylethanol.

Molecular Properties

Compound Name2-[4-[4-(2-hydroxyethylsulfanyl)phenyl]phenyl]sulfanylethanol
PubChem CID2192654
Molecular FormulaC16H18O2S2
Molecular Weight306.45 g/mol
Exact Mass306.07
IUPAC Name2-[4-[4-(2-hydroxyethylsulfanyl)phenyl]phenyl]sulfanylethanol
SMILESOCCSc1ccc(-c2ccc(SCCO)cc2)cc1
InChIInChI=1S/C16H18O2S2/c17-9-11-19-15-5-1-13(2-6-15)14-3-7-16(8-4-14)20-12-10-18/h1-8,17-18H,9-12H2
InChIKeyJUWMHECFFUEPCP-UHFFFAOYSA-N
XLogP3.52
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[4-(2-hydroxyethylsulfanyl)phenyl]phenyl]sulfanylethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis[4-(2-hydroxyethylsulfanyl)phenyl]methanone
CID 139889222
2-[4-[[4-(2-hydroxyethylsulfanyl)phenyl]-diphenylsilyl]phenyl]sulfanylethanol
CID 167438184
N-[4-(2-hydroxyethylsulfanyl)phenyl]acetamide
CID 611088
2-(4-butan-2-ylsulfanylphenyl)sulfanylethanol
CID 15662558
2-(3,4-difluorophenyl)sulfanylethanol
CID 43392369
4-(4-propylsulfanylphenyl)phenol
CID 70387608
2-[7-(2-hydroxyethylsulfanyl)phenazin-2-yl]sulfanylethanol
CID 15048490
4-(2-hydroxyethylsulfanyl)benzaldehyde;4-iodobenzaldehyde
CID 159643020
4-[4-(2-hydroxyethylsulfanyl)phenyl]-4-oxobutanoic acid
CID 82165387
benzoic acid;2-phenylsulfanylethanol
CID 71357973
3-(4-bromophenyl)sulfanylpropan-1-ol
CID 43392834
3-(4-aminophenyl)sulfanylpropan-1-ol
CID 43299111

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(2-hydroxyethylsulfanyl)phenyl]phenyl]sulfanylethanol?
The IUPAC name of 2-[4-[4-(2-hydroxyethylsulfanyl)phenyl]phenyl]sulfanylethanol (CID 2192654) is 2-[4-[4-(2-hydroxyethylsulfanyl)phenyl]phenyl]sulfanylethanol.
What is the SMILES notation for 2-[4-[4-(2-hydroxyethylsulfanyl)phenyl]phenyl]sulfanylethanol?
The canonical SMILES for 2-[4-[4-(2-hydroxyethylsulfanyl)phenyl]phenyl]sulfanylethanol is OCCSc1ccc(-c2ccc(SCCO)cc2)cc1.
What is the InChIKey of 2-[4-[4-(2-hydroxyethylsulfanyl)phenyl]phenyl]sulfanylethanol?
The InChIKey is JUWMHECFFUEPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2S2/c17-9-11-19-15-5-1-13(2-6-15)14-3-7-16(8-4-14)20-12-10-18/h1-8,17-18H,9-12H2.
What are the key properties of 2-[4-[4-(2-hydroxyethylsulfanyl)phenyl]phenyl]sulfanylethanol?
2-[4-[4-(2-hydroxyethylsulfanyl)phenyl]phenyl]sulfanylethanol has a molecular weight of 306.45 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(2-hydroxyethylsulfanyl)phenyl]phenyl]sulfanylethanol is sourced from PubChem (CID 2192654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).