bis[4-(2-hydroxyethylsulfanyl)phenyl]methanone

C17H18O3S2 — CID 139889222

IUPACbis[4-(2-hydroxyethylsulfanyl)phenyl]methanone
SMILESO=C(c1ccc(SCCO)cc1)c1ccc(SCCO)cc1
InChIInChI=1S/C17H18O3S2/c18-9-11-21-15-5-1-13(2-6-15)17(20)14-3-7-16(8-4-14)22-12-10-19/h1-8,18-19H,9-12H2
InChIKeyOXLAMANKSBOTNJ-UHFFFAOYSA-N
MW334.46 g/mol
LogP3.09
Rot. Bonds8

About bis[4-(2-hydroxyethylsulfanyl)phenyl]methanone

bis[4-(2-hydroxyethylsulfanyl)phenyl]methanone (PubChem CID 139889222) has the molecular formula C17H18O3S2 and a molecular weight of 334.46 g/mol. Its IUPAC name is bis[4-(2-hydroxyethylsulfanyl)phenyl]methanone.

Molecular Properties

Compound Namebis[4-(2-hydroxyethylsulfanyl)phenyl]methanone
PubChem CID139889222
Molecular FormulaC17H18O3S2
Molecular Weight334.46 g/mol
Exact Mass334.07
IUPAC Namebis[4-(2-hydroxyethylsulfanyl)phenyl]methanone
SMILESO=C(c1ccc(SCCO)cc1)c1ccc(SCCO)cc1
InChIInChI=1S/C17H18O3S2/c18-9-11-21-15-5-1-13(2-6-15)17(20)14-3-7-16(8-4-14)22-12-10-19/h1-8,18-19H,9-12H2
InChIKeyOXLAMANKSBOTNJ-UHFFFAOYSA-N
XLogP3.09
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(2-hydroxyethylsulfanyl)phenyl]-4-oxobutanoic acid
CID 82165387
2-[4-[4-(2-hydroxyethylsulfanyl)phenyl]phenyl]sulfanylethanol
CID 2192654
bis(4-but-3-enylsulfanylphenyl)methanone
CID 176793192
benzoic acid;2-phenylsulfanylethanol
CID 71357973
N-[4-(2-hydroxyethylsulfanyl)phenyl]acetamide
CID 611088
1,2-bis[4-(2-hydroxyethylsulfanyl)phenyl]-2,2-dimethoxyethanone
CID 59816654
2-(4-benzoylphenyl)sulfanylethyl formate
CID 89028971
4-[4-(4-carboxyphenyl)sulfanylbutylsulfanyl]benzoic acid
CID 101056117
4-(2-hydroxyethylsulfanyl)-N-(4-methoxycyclohexyl)benzamide
CID 77090043
2-phenylsulfanylethanol;prop-2-enoic acid
CID 175060305
4-[4-(3-hydroxypropylsulfanyl)phenyl]-4-oxobutanoic acid
CID 82165392
bis[4-(oxiran-2-ylmethylsulfanyl)phenyl]methanone
CID 170154353

Frequently Asked Questions

What is the IUPAC name of bis[4-(2-hydroxyethylsulfanyl)phenyl]methanone?
The IUPAC name of bis[4-(2-hydroxyethylsulfanyl)phenyl]methanone (CID 139889222) is bis[4-(2-hydroxyethylsulfanyl)phenyl]methanone.
What is the SMILES notation for bis[4-(2-hydroxyethylsulfanyl)phenyl]methanone?
The canonical SMILES for bis[4-(2-hydroxyethylsulfanyl)phenyl]methanone is O=C(c1ccc(SCCO)cc1)c1ccc(SCCO)cc1.
What is the InChIKey of bis[4-(2-hydroxyethylsulfanyl)phenyl]methanone?
The InChIKey is OXLAMANKSBOTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3S2/c18-9-11-21-15-5-1-13(2-6-15)17(20)14-3-7-16(8-4-14)22-12-10-19/h1-8,18-19H,9-12H2.
What are the key properties of bis[4-(2-hydroxyethylsulfanyl)phenyl]methanone?
bis[4-(2-hydroxyethylsulfanyl)phenyl]methanone has a molecular weight of 334.46 g/mol, XLogP of 3.09, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-(2-hydroxyethylsulfanyl)phenyl]methanone is sourced from PubChem (CID 139889222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).