2-methylthiophen-3-ol

C5H6OS — CID 14964443

IUPAC2-methylthiophen-3-ol
SMILESCc1sccc1O
InChIInChI=1S/C5H6OS/c1-4-5(6)2-3-7-4/h2-3,6H,1H3
InChIKeyMELVCTMNNIGRRP-UHFFFAOYSA-N
MW114.17 g/mol
LogP1.76
Rot. Bonds

About 2-methylthiophen-3-ol

2-methylthiophen-3-ol (PubChem CID 14964443) has the molecular formula C5H6OS and a molecular weight of 114.17 g/mol. Its IUPAC name is 2-methylthiophen-3-ol.

Molecular Properties

Compound Name2-methylthiophen-3-ol
PubChem CID14964443
Molecular FormulaC5H6OS
Molecular Weight114.17 g/mol
Exact Mass114.01
IUPAC Name2-methylthiophen-3-ol
SMILESCc1sccc1O
InChIInChI=1S/C5H6OS/c1-4-5(6)2-3-7-4/h2-3,6H,1H3
InChIKeyMELVCTMNNIGRRP-UHFFFAOYSA-N
XLogP1.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.17
LogP ≤ 51.76
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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Frequently Asked Questions

What is the IUPAC name of 2-methylthiophen-3-ol?
The IUPAC name of 2-methylthiophen-3-ol (CID 14964443) is 2-methylthiophen-3-ol.
What is the SMILES notation for 2-methylthiophen-3-ol?
The canonical SMILES for 2-methylthiophen-3-ol is Cc1sccc1O.
What is the InChIKey of 2-methylthiophen-3-ol?
The InChIKey is MELVCTMNNIGRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6OS/c1-4-5(6)2-3-7-4/h2-3,6H,1H3.
What are the key properties of 2-methylthiophen-3-ol?
2-methylthiophen-3-ol has a molecular weight of 114.17 g/mol, XLogP of 1.76, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylthiophen-3-ol is sourced from PubChem (CID 14964443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).