2-amino-5-ethylbenzenethiol

C8H11NS — CID 10374643

IUPAC2-amino-5-ethylbenzenethiol
SMILESCCc1ccc(N)c(S)c1
InChIInChI=1S/C8H11NS/c1-2-6-3-4-7(9)8(10)5-6/h3-5,10H,2,9H2,1H3
InChIKeyDABRWGYFMWOSNL-UHFFFAOYSA-N
MW153.25 g/mol
LogP2.12
Rot. Bonds1

About 2-amino-5-ethylbenzenethiol

2-amino-5-ethylbenzenethiol (PubChem CID 10374643) has the molecular formula C8H11NS and a molecular weight of 153.25 g/mol. Its IUPAC name is 2-amino-5-ethylbenzenethiol.

Molecular Properties

Compound Name2-amino-5-ethylbenzenethiol
PubChem CID10374643
Molecular FormulaC8H11NS
Molecular Weight153.25 g/mol
Exact Mass153.06
IUPAC Name2-amino-5-ethylbenzenethiol
SMILESCCc1ccc(N)c(S)c1
InChIInChI=1S/C8H11NS/c1-2-6-3-4-7(9)8(10)5-6/h3-5,10H,2,9H2,1H3
InChIKeyDABRWGYFMWOSNL-UHFFFAOYSA-N
XLogP2.12
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-ethylbenzenethiol?
The IUPAC name of 2-amino-5-ethylbenzenethiol (CID 10374643) is 2-amino-5-ethylbenzenethiol.
What is the SMILES notation for 2-amino-5-ethylbenzenethiol?
The canonical SMILES for 2-amino-5-ethylbenzenethiol is CCc1ccc(N)c(S)c1.
What is the InChIKey of 2-amino-5-ethylbenzenethiol?
The InChIKey is DABRWGYFMWOSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS/c1-2-6-3-4-7(9)8(10)5-6/h3-5,10H,2,9H2,1H3.
What are the key properties of 2-amino-5-ethylbenzenethiol?
2-amino-5-ethylbenzenethiol has a molecular weight of 153.25 g/mol, XLogP of 2.12, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-ethylbenzenethiol is sourced from PubChem (CID 10374643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).