1-hydroxy-2-thiophen-3-ylguanidine

C5H7N3OS — CID 10986500

IUPAC1-hydroxy-2-thiophen-3-ylguanidine
SMILESN/C(=N\c1ccsc1)NO
InChIInChI=1S/C5H7N3OS/c6-5(8-9)7-4-1-2-10-3-4/h1-3,9H,(H3,6,7,8)
InChIKeyGUPJAXHGONDKEQ-UHFFFAOYSA-N
MW157.20 g/mol
LogP0.67
Rot. Bonds1

About 1-hydroxy-2-thiophen-3-ylguanidine

1-hydroxy-2-thiophen-3-ylguanidine (PubChem CID 10986500) has the molecular formula C5H7N3OS and a molecular weight of 157.20 g/mol. Its IUPAC name is 1-hydroxy-2-thiophen-3-ylguanidine.

Molecular Properties

Compound Name1-hydroxy-2-thiophen-3-ylguanidine
PubChem CID10986500
Molecular FormulaC5H7N3OS
Molecular Weight157.20 g/mol
Exact Mass157.03
IUPAC Name1-hydroxy-2-thiophen-3-ylguanidine
SMILESN/C(=N\c1ccsc1)NO
InChIInChI=1S/C5H7N3OS/c6-5(8-9)7-4-1-2-10-3-4/h1-3,9H,(H3,6,7,8)
InChIKeyGUPJAXHGONDKEQ-UHFFFAOYSA-N
XLogP0.67
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.20
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2-thiophen-3-ylguanidine?
The IUPAC name of 1-hydroxy-2-thiophen-3-ylguanidine (CID 10986500) is 1-hydroxy-2-thiophen-3-ylguanidine.
What is the SMILES notation for 1-hydroxy-2-thiophen-3-ylguanidine?
The canonical SMILES for 1-hydroxy-2-thiophen-3-ylguanidine is N/C(=N\c1ccsc1)NO.
What is the InChIKey of 1-hydroxy-2-thiophen-3-ylguanidine?
The InChIKey is GUPJAXHGONDKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3OS/c6-5(8-9)7-4-1-2-10-3-4/h1-3,9H,(H3,6,7,8).
What are the key properties of 1-hydroxy-2-thiophen-3-ylguanidine?
1-hydroxy-2-thiophen-3-ylguanidine has a molecular weight of 157.20 g/mol, XLogP of 0.67, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-thiophen-3-ylguanidine is sourced from PubChem (CID 10986500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).