2-[1-(5-chlorothiophen-2-yl)ethyl]-1-hydroxyguanidine

C7H10ClN3OS — CID 62483742

IUPAC2-[1-(5-chlorothiophen-2-yl)ethyl]-1-hydroxyguanidine
SMILESCC(/N=C(\N)NO)c1ccc(Cl)s1
InChIInChI=1S/C7H10ClN3OS/c1-4(10-7(9)11-12)5-2-3-6(8)13-5/h2-4,12H,1H3,(H3,9,10,11)
InChIKeyVOXVLPVMAYVNOI-UHFFFAOYSA-N
MW219.70 g/mol
LogP1.76
Rot. Bonds2

About 2-[1-(5-chlorothiophen-2-yl)ethyl]-1-hydroxyguanidine

2-[1-(5-chlorothiophen-2-yl)ethyl]-1-hydroxyguanidine (PubChem CID 62483742) has the molecular formula C7H10ClN3OS and a molecular weight of 219.70 g/mol. Its IUPAC name is 2-[1-(5-chlorothiophen-2-yl)ethyl]-1-hydroxyguanidine.

Molecular Properties

Compound Name2-[1-(5-chlorothiophen-2-yl)ethyl]-1-hydroxyguanidine
PubChem CID62483742
Molecular FormulaC7H10ClN3OS
Molecular Weight219.70 g/mol
Exact Mass219.02
IUPAC Name2-[1-(5-chlorothiophen-2-yl)ethyl]-1-hydroxyguanidine
SMILESCC(/N=C(\N)NO)c1ccc(Cl)s1
InChIInChI=1S/C7H10ClN3OS/c1-4(10-7(9)11-12)5-2-3-6(8)13-5/h2-4,12H,1H3,(H3,9,10,11)
InChIKeyVOXVLPVMAYVNOI-UHFFFAOYSA-N
XLogP1.76
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.70
LogP ≤ 51.76
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 2-[1-(5-chlorothiophen-2-yl)ethyl]-1-hydroxyguanidine?
The IUPAC name of 2-[1-(5-chlorothiophen-2-yl)ethyl]-1-hydroxyguanidine (CID 62483742) is 2-[1-(5-chlorothiophen-2-yl)ethyl]-1-hydroxyguanidine.
What is the SMILES notation for 2-[1-(5-chlorothiophen-2-yl)ethyl]-1-hydroxyguanidine?
The canonical SMILES for 2-[1-(5-chlorothiophen-2-yl)ethyl]-1-hydroxyguanidine is CC(/N=C(\N)NO)c1ccc(Cl)s1.
What is the InChIKey of 2-[1-(5-chlorothiophen-2-yl)ethyl]-1-hydroxyguanidine?
The InChIKey is VOXVLPVMAYVNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3OS/c1-4(10-7(9)11-12)5-2-3-6(8)13-5/h2-4,12H,1H3,(H3,9,10,11).
What are the key properties of 2-[1-(5-chlorothiophen-2-yl)ethyl]-1-hydroxyguanidine?
2-[1-(5-chlorothiophen-2-yl)ethyl]-1-hydroxyguanidine has a molecular weight of 219.70 g/mol, XLogP of 1.76, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-chlorothiophen-2-yl)ethyl]-1-hydroxyguanidine is sourced from PubChem (CID 62483742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).