[5-(2,5-dichlorophenyl)sulfanylthiophen-2-yl]methanol

C11H8Cl2OS2 — CID 107365195

IUPAC[5-(2,5-dichlorophenyl)sulfanylthiophen-2-yl]methanol
SMILESOCc1ccc(Sc2cc(Cl)ccc2Cl)s1
InChIInChI=1S/C11H8Cl2OS2/c12-7-1-3-9(13)10(5-7)16-11-4-2-8(6-14)15-11/h1-5,14H,6H2
InChIKeyXRBGTSRGLCFULQ-UHFFFAOYSA-N
MW291.22 g/mol
LogP4.70
Rot. Bonds3

About [5-(2,5-dichlorophenyl)sulfanylthiophen-2-yl]methanol

[5-(2,5-dichlorophenyl)sulfanylthiophen-2-yl]methanol (PubChem CID 107365195) has the molecular formula C11H8Cl2OS2 and a molecular weight of 291.22 g/mol. Its IUPAC name is [5-(2,5-dichlorophenyl)sulfanylthiophen-2-yl]methanol.

Molecular Properties

Compound Name[5-(2,5-dichlorophenyl)sulfanylthiophen-2-yl]methanol
PubChem CID107365195
Molecular FormulaC11H8Cl2OS2
Molecular Weight291.22 g/mol
Exact Mass289.94
IUPAC Name[5-(2,5-dichlorophenyl)sulfanylthiophen-2-yl]methanol
SMILESOCc1ccc(Sc2cc(Cl)ccc2Cl)s1
InChIInChI=1S/C11H8Cl2OS2/c12-7-1-3-9(13)10(5-7)16-11-4-2-8(6-14)15-11/h1-5,14H,6H2
InChIKeyXRBGTSRGLCFULQ-UHFFFAOYSA-N
XLogP4.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.22
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(2,5-dichlorophenyl)sulfanylthiophen-2-yl]methanol?
The IUPAC name of [5-(2,5-dichlorophenyl)sulfanylthiophen-2-yl]methanol (CID 107365195) is [5-(2,5-dichlorophenyl)sulfanylthiophen-2-yl]methanol.
What is the SMILES notation for [5-(2,5-dichlorophenyl)sulfanylthiophen-2-yl]methanol?
The canonical SMILES for [5-(2,5-dichlorophenyl)sulfanylthiophen-2-yl]methanol is OCc1ccc(Sc2cc(Cl)ccc2Cl)s1.
What is the InChIKey of [5-(2,5-dichlorophenyl)sulfanylthiophen-2-yl]methanol?
The InChIKey is XRBGTSRGLCFULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2OS2/c12-7-1-3-9(13)10(5-7)16-11-4-2-8(6-14)15-11/h1-5,14H,6H2.
What are the key properties of [5-(2,5-dichlorophenyl)sulfanylthiophen-2-yl]methanol?
[5-(2,5-dichlorophenyl)sulfanylthiophen-2-yl]methanol has a molecular weight of 291.22 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,5-dichlorophenyl)sulfanylthiophen-2-yl]methanol is sourced from PubChem (CID 107365195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).