2-(2-chlorothiophen-3-yl)-1-hydroxyguanidine

C5H6ClN3OS — CID 130965113

IUPAC2-(2-chlorothiophen-3-yl)-1-hydroxyguanidine
SMILESN/C(=N\c1ccsc1Cl)NO
InChIInChI=1S/C5H6ClN3OS/c6-4-3(1-2-11-4)8-5(7)9-10/h1-2,10H,(H3,7,8,9)
InChIKeyBZTHNFKMZJXPRH-UHFFFAOYSA-N
MW191.64 g/mol
LogP1.33
Rot. Bonds1

About 2-(2-chlorothiophen-3-yl)-1-hydroxyguanidine

2-(2-chlorothiophen-3-yl)-1-hydroxyguanidine (PubChem CID 130965113) has the molecular formula C5H6ClN3OS and a molecular weight of 191.64 g/mol. Its IUPAC name is 2-(2-chlorothiophen-3-yl)-1-hydroxyguanidine.

Molecular Properties

Compound Name2-(2-chlorothiophen-3-yl)-1-hydroxyguanidine
PubChem CID130965113
Molecular FormulaC5H6ClN3OS
Molecular Weight191.64 g/mol
Exact Mass190.99
IUPAC Name2-(2-chlorothiophen-3-yl)-1-hydroxyguanidine
SMILESN/C(=N\c1ccsc1Cl)NO
InChIInChI=1S/C5H6ClN3OS/c6-4-3(1-2-11-4)8-5(7)9-10/h1-2,10H,(H3,7,8,9)
InChIKeyBZTHNFKMZJXPRH-UHFFFAOYSA-N
XLogP1.33
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.64
LogP ≤ 51.33
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-(2-chlorothiophen-3-yl)-1-hydroxyguanidine?
The IUPAC name of 2-(2-chlorothiophen-3-yl)-1-hydroxyguanidine (CID 130965113) is 2-(2-chlorothiophen-3-yl)-1-hydroxyguanidine.
What is the SMILES notation for 2-(2-chlorothiophen-3-yl)-1-hydroxyguanidine?
The canonical SMILES for 2-(2-chlorothiophen-3-yl)-1-hydroxyguanidine is N/C(=N\c1ccsc1Cl)NO.
What is the InChIKey of 2-(2-chlorothiophen-3-yl)-1-hydroxyguanidine?
The InChIKey is BZTHNFKMZJXPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClN3OS/c6-4-3(1-2-11-4)8-5(7)9-10/h1-2,10H,(H3,7,8,9).
What are the key properties of 2-(2-chlorothiophen-3-yl)-1-hydroxyguanidine?
2-(2-chlorothiophen-3-yl)-1-hydroxyguanidine has a molecular weight of 191.64 g/mol, XLogP of 1.33, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorothiophen-3-yl)-1-hydroxyguanidine is sourced from PubChem (CID 130965113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).