2-chloro-5-hydrazinylbenzenethiol

C6H7ClN2S — CID 118833770

IUPAC2-chloro-5-hydrazinylbenzenethiol
SMILESNNc1ccc(Cl)c(S)c1
InChIInChI=1S/C6H7ClN2S/c7-5-2-1-4(9-8)3-6(5)10/h1-3,9-10H,8H2
InChIKeyGPSHASFGAVMEMP-UHFFFAOYSA-N
MW174.66 g/mol
LogP1.91
Rot. Bonds1

About 2-chloro-5-hydrazinylbenzenethiol

2-chloro-5-hydrazinylbenzenethiol (PubChem CID 118833770) has the molecular formula C6H7ClN2S and a molecular weight of 174.66 g/mol. Its IUPAC name is 2-chloro-5-hydrazinylbenzenethiol.

Molecular Properties

Compound Name2-chloro-5-hydrazinylbenzenethiol
PubChem CID118833770
Molecular FormulaC6H7ClN2S
Molecular Weight174.66 g/mol
Exact Mass174.00
IUPAC Name2-chloro-5-hydrazinylbenzenethiol
SMILESNNc1ccc(Cl)c(S)c1
InChIInChI=1S/C6H7ClN2S/c7-5-2-1-4(9-8)3-6(5)10/h1-3,9-10H,8H2
InChIKeyGPSHASFGAVMEMP-UHFFFAOYSA-N
XLogP1.91
TPSA38.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.66
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-hydrazinylbenzenethiol?
The IUPAC name of 2-chloro-5-hydrazinylbenzenethiol (CID 118833770) is 2-chloro-5-hydrazinylbenzenethiol.
What is the SMILES notation for 2-chloro-5-hydrazinylbenzenethiol?
The canonical SMILES for 2-chloro-5-hydrazinylbenzenethiol is NNc1ccc(Cl)c(S)c1.
What is the InChIKey of 2-chloro-5-hydrazinylbenzenethiol?
The InChIKey is GPSHASFGAVMEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2S/c7-5-2-1-4(9-8)3-6(5)10/h1-3,9-10H,8H2.
What are the key properties of 2-chloro-5-hydrazinylbenzenethiol?
2-chloro-5-hydrazinylbenzenethiol has a molecular weight of 174.66 g/mol, XLogP of 1.91, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-hydrazinylbenzenethiol is sourced from PubChem (CID 118833770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).