(3,5-dichlorothiophen-2-yl)methanol

C5H4Cl2OS — CID 123290972

IUPAC(3,5-dichlorothiophen-2-yl)methanol
SMILESOCc1sc(Cl)cc1Cl
InChIInChI=1S/C5H4Cl2OS/c6-3-1-5(7)9-4(3)2-8/h1,8H,2H2
InChIKeyXJAUTEZYQYZHQF-UHFFFAOYSA-N
MW183.06 g/mol
LogP2.55
Rot. Bonds1

About (3,5-dichlorothiophen-2-yl)methanol

(3,5-dichlorothiophen-2-yl)methanol (PubChem CID 123290972) has the molecular formula C5H4Cl2OS and a molecular weight of 183.06 g/mol. Its IUPAC name is (3,5-dichlorothiophen-2-yl)methanol.

Molecular Properties

Compound Name(3,5-dichlorothiophen-2-yl)methanol
PubChem CID123290972
Molecular FormulaC5H4Cl2OS
Molecular Weight183.06 g/mol
Exact Mass181.94
IUPAC Name(3,5-dichlorothiophen-2-yl)methanol
SMILESOCc1sc(Cl)cc1Cl
InChIInChI=1S/C5H4Cl2OS/c6-3-1-5(7)9-4(3)2-8/h1,8H,2H2
InChIKeyXJAUTEZYQYZHQF-UHFFFAOYSA-N
XLogP2.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.06
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,5-dichlorothiophen-2-yl)methanol?
The IUPAC name of (3,5-dichlorothiophen-2-yl)methanol (CID 123290972) is (3,5-dichlorothiophen-2-yl)methanol.
What is the SMILES notation for (3,5-dichlorothiophen-2-yl)methanol?
The canonical SMILES for (3,5-dichlorothiophen-2-yl)methanol is OCc1sc(Cl)cc1Cl.
What is the InChIKey of (3,5-dichlorothiophen-2-yl)methanol?
The InChIKey is XJAUTEZYQYZHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4Cl2OS/c6-3-1-5(7)9-4(3)2-8/h1,8H,2H2.
What are the key properties of (3,5-dichlorothiophen-2-yl)methanol?
(3,5-dichlorothiophen-2-yl)methanol has a molecular weight of 183.06 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichlorothiophen-2-yl)methanol is sourced from PubChem (CID 123290972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).