2,5-dichlorothiophen-3-ol

C4H2Cl2OS — CID 71437780

IUPAC2,5-dichlorothiophen-3-ol
SMILESOc1cc(Cl)sc1Cl
InChIInChI=1S/C4H2Cl2OS/c5-3-1-2(7)4(6)8-3/h1,7H
InChIKeyUGWWXUAICFVOLO-UHFFFAOYSA-N
MW169.03 g/mol
LogP2.76
Rot. Bonds

About 2,5-dichlorothiophen-3-ol

2,5-dichlorothiophen-3-ol (PubChem CID 71437780) has the molecular formula C4H2Cl2OS and a molecular weight of 169.03 g/mol. Its IUPAC name is 2,5-dichlorothiophen-3-ol.

Molecular Properties

Compound Name2,5-dichlorothiophen-3-ol
PubChem CID71437780
Molecular FormulaC4H2Cl2OS
Molecular Weight169.03 g/mol
Exact Mass167.92
IUPAC Name2,5-dichlorothiophen-3-ol
SMILESOc1cc(Cl)sc1Cl
InChIInChI=1S/C4H2Cl2OS/c5-3-1-2(7)4(6)8-3/h1,7H
InChIKeyUGWWXUAICFVOLO-UHFFFAOYSA-N
XLogP2.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.03
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}

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Related Compounds

N-[(2,5-dichlorothiophen-3-yl)methyl]hydroxylamine
CID 131048910
2,5-dichlorothiophene-3-sulfonic acid;hydrofluoride
CID 174560905
(2,5-dichlorothiophen-3-yl)methanamine;hydrochloride
CID 71757986
1-(2,5-dichlorothiophen-3-yl)-2,2-difluoroethanone
CID 103513606
2-[(2,5-dichlorothiophen-3-yl)methylidene]propanedinitrile
CID 131048965
2,5-dichloro-N-(4-chloro-2-hydroxyphenyl)thiophene-3-sulfonamide
CID 81433543
2-chloro-5-methylsulfanyl-1-benzothiophen-7-ol
CID 130985425
2-chloro-2-(2,5-dichlorothiophen-3-yl)acetamide
CID 130673602
2,5-dichloro-N-cyanothiophene-3-carboxamide
CID 107963413
N-[(2,5-dichlorothiophen-3-yl)methyl]-2-hydroxyacetamide
CID 130682625
(2,5-dichlorothiophen-3-yl)-phenylmethanol
CID 61082614
2,5-dichloro-N-(3-fluoro-4-hydroxyphenyl)thiophene-3-sulfonamide
CID 64781655

Frequently Asked Questions

What is the IUPAC name of 2,5-dichlorothiophen-3-ol?
The IUPAC name of 2,5-dichlorothiophen-3-ol (CID 71437780) is 2,5-dichlorothiophen-3-ol.
What is the SMILES notation for 2,5-dichlorothiophen-3-ol?
The canonical SMILES for 2,5-dichlorothiophen-3-ol is Oc1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichlorothiophen-3-ol?
The InChIKey is UGWWXUAICFVOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2Cl2OS/c5-3-1-2(7)4(6)8-3/h1,7H.
What are the key properties of 2,5-dichlorothiophen-3-ol?
2,5-dichlorothiophen-3-ol has a molecular weight of 169.03 g/mol, XLogP of 2.76, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichlorothiophen-3-ol is sourced from PubChem (CID 71437780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).