2-amino-3H-thiophen-2-ol

C4H7NOS — CID 139033886

IUPAC2-amino-3H-thiophen-2-ol
SMILESNC1(O)CC=CS1
InChIInChI=1S/C4H7NOS/c5-4(6)2-1-3-7-4/h1,3,6H,2,5H2
InChIKeyJTPPPWZJFMBGRN-UHFFFAOYSA-N
MW117.17 g/mol
LogP0.24
Rot. Bonds

About 2-amino-3H-thiophen-2-ol

2-amino-3H-thiophen-2-ol (PubChem CID 139033886) has the molecular formula C4H7NOS and a molecular weight of 117.17 g/mol. Its IUPAC name is 2-amino-3H-thiophen-2-ol.

Molecular Properties

Compound Name2-amino-3H-thiophen-2-ol
PubChem CID139033886
Molecular FormulaC4H7NOS
Molecular Weight117.17 g/mol
Exact Mass117.02
IUPAC Name2-amino-3H-thiophen-2-ol
SMILESNC1(O)CC=CS1
InChIInChI=1S/C4H7NOS/c5-4(6)2-1-3-7-4/h1,3,6H,2,5H2
InChIKeyJTPPPWZJFMBGRN-UHFFFAOYSA-N
XLogP0.24
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.17
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3H-thiophen-2-ol?
The IUPAC name of 2-amino-3H-thiophen-2-ol (CID 139033886) is 2-amino-3H-thiophen-2-ol.
What is the SMILES notation for 2-amino-3H-thiophen-2-ol?
The canonical SMILES for 2-amino-3H-thiophen-2-ol is NC1(O)CC=CS1.
What is the InChIKey of 2-amino-3H-thiophen-2-ol?
The InChIKey is JTPPPWZJFMBGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NOS/c5-4(6)2-1-3-7-4/h1,3,6H,2,5H2.
What are the key properties of 2-amino-3H-thiophen-2-ol?
2-amino-3H-thiophen-2-ol has a molecular weight of 117.17 g/mol, XLogP of 0.24, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3H-thiophen-2-ol is sourced from PubChem (CID 139033886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).