[4-(1-thiophen-2-ylethylsulfinylmethyl)phenyl]methanol

C14H16O2S2 — CID 110004990

IUPAC[4-(1-thiophen-2-ylethylsulfinylmethyl)phenyl]methanol
SMILESCC(c1cccs1)S(=O)Cc1ccc(CO)cc1
InChIInChI=1S/C14H16O2S2/c1-11(14-3-2-8-17-14)18(16)10-13-6-4-12(9-15)5-7-13/h2-8,11,15H,9-10H2,1H3
InChIKeyMIDMEGSYQZSPPG-UHFFFAOYSA-N
MW280.41 g/mol
LogP3.25
Rot. Bonds5

About [4-(1-thiophen-2-ylethylsulfinylmethyl)phenyl]methanol

[4-(1-thiophen-2-ylethylsulfinylmethyl)phenyl]methanol (PubChem CID 110004990) has the molecular formula C14H16O2S2 and a molecular weight of 280.41 g/mol. Its IUPAC name is [4-(1-thiophen-2-ylethylsulfinylmethyl)phenyl]methanol.

Molecular Properties

Compound Name[4-(1-thiophen-2-ylethylsulfinylmethyl)phenyl]methanol
PubChem CID110004990
Molecular FormulaC14H16O2S2
Molecular Weight280.41 g/mol
Exact Mass280.06
IUPAC Name[4-(1-thiophen-2-ylethylsulfinylmethyl)phenyl]methanol
SMILESCC(c1cccs1)S(=O)Cc1ccc(CO)cc1
InChIInChI=1S/C14H16O2S2/c1-11(14-3-2-8-17-14)18(16)10-13-6-4-12(9-15)5-7-13/h2-8,11,15H,9-10H2,1H3
InChIKeyMIDMEGSYQZSPPG-UHFFFAOYSA-N
XLogP3.25
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(R)-[(1R)-1-thiophen-2-ylethyl]sulfinyl]methyl]benzonitrile
CID 97021415
2-[(1R)-1-[(S)-2-(4-methoxyphenyl)ethylsulfinyl]ethyl]thiophene
CID 99795007
2-[(1R)-1-[(R)-[4-methoxy-3-(trifluoromethylsulfanyl)phenyl]methylsulfinyl]ethyl]thiophene
CID 97318544
[4-(2-amino-1-thiophen-2-ylpropoxy)phenyl]methanol
CID 55021050
[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylsulfinylmethyl]phenyl]methanol
CID 110005461
5-phenyl-3-(1-thiophen-2-ylethylsulfinylmethyl)-1,2,4-oxadiazole
CID 84591571
2-propan-2-ylthiophene
CID 178128598
methyl 2-methyl-3-thiophen-2-ylbutanoate
CID 177194529
N-[(5-chlorothiophen-2-yl)methyl]-2-(1-thiophen-2-ylethylsulfinyl)acetamide
CID 75381770
2-amino-N-(1-hydroxypropan-2-yl)-2-thiophen-2-ylacetamide
CID 115286053
1-amino-3-methyl-1-thiophen-2-ylpentan-2-one
CID 116601464
2-(1-thiophen-2-ylethylamino)ethanol
CID 43151185

Frequently Asked Questions

What is the IUPAC name of [4-(1-thiophen-2-ylethylsulfinylmethyl)phenyl]methanol?
The IUPAC name of [4-(1-thiophen-2-ylethylsulfinylmethyl)phenyl]methanol (CID 110004990) is [4-(1-thiophen-2-ylethylsulfinylmethyl)phenyl]methanol.
What is the SMILES notation for [4-(1-thiophen-2-ylethylsulfinylmethyl)phenyl]methanol?
The canonical SMILES for [4-(1-thiophen-2-ylethylsulfinylmethyl)phenyl]methanol is CC(c1cccs1)S(=O)Cc1ccc(CO)cc1.
What is the InChIKey of [4-(1-thiophen-2-ylethylsulfinylmethyl)phenyl]methanol?
The InChIKey is MIDMEGSYQZSPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2S2/c1-11(14-3-2-8-17-14)18(16)10-13-6-4-12(9-15)5-7-13/h2-8,11,15H,9-10H2,1H3.
What are the key properties of [4-(1-thiophen-2-ylethylsulfinylmethyl)phenyl]methanol?
[4-(1-thiophen-2-ylethylsulfinylmethyl)phenyl]methanol has a molecular weight of 280.41 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-thiophen-2-ylethylsulfinylmethyl)phenyl]methanol is sourced from PubChem (CID 110004990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).