2-amino-5-bromo-3-ethylbenzenethiol

C8H10BrNS — CID 81291404

IUPAC2-amino-5-bromo-3-ethylbenzenethiol
SMILESCCc1cc(Br)cc(S)c1N
InChIInChI=1S/C8H10BrNS/c1-2-5-3-6(9)4-7(11)8(5)10/h3-4,11H,2,10H2,1H3
InChIKeyQETLDZDNHJSKGX-UHFFFAOYSA-N
MW232.15 g/mol
LogP2.88
Rot. Bonds1

About 2-amino-5-bromo-3-ethylbenzenethiol

2-amino-5-bromo-3-ethylbenzenethiol (PubChem CID 81291404) has the molecular formula C8H10BrNS and a molecular weight of 232.15 g/mol. Its IUPAC name is 2-amino-5-bromo-3-ethylbenzenethiol.

Molecular Properties

Compound Name2-amino-5-bromo-3-ethylbenzenethiol
PubChem CID81291404
Molecular FormulaC8H10BrNS
Molecular Weight232.15 g/mol
Exact Mass230.97
IUPAC Name2-amino-5-bromo-3-ethylbenzenethiol
SMILESCCc1cc(Br)cc(S)c1N
InChIInChI=1S/C8H10BrNS/c1-2-5-3-6(9)4-7(11)8(5)10/h3-4,11H,2,10H2,1H3
InChIKeyQETLDZDNHJSKGX-UHFFFAOYSA-N
XLogP2.88
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.15
LogP ≤ 52.88
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'}

Analyze 2-amino-5-bromo-3-ethylbenzenethiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-2-ethyl-6-methylaniline
CID 960761
2,3-diamino-5-bromobenzenethiol
CID 143121859
2,4-diamino-3,5-diethylbenzenethiol
CID 150249754
(4-bromo-2,6-diethylphenyl)methanamine
CID 58266734
2-amino-3-ethyl-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzenethiol
CID 152616841
5-bromo-2-chloro-1,3-diethylbenzene
CID 44891102
2-amino-3,4,5-triethylbenzenethiol
CID 134347256
2,6-diethylbenzene-1,4-diamine
CID 10154207
4-bromo-2,6-diethylbenzamide
CID 68757322
2-amino-3-bromo-5-ethylbenzenethiol
CID 82548295
6-bromo-8-ethyl-2,3-dimethylquinolin-4-amine
CID 81289001
5-amino-2-ethylbenzenethiol
CID 13245129

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-3-ethylbenzenethiol?
The IUPAC name of 2-amino-5-bromo-3-ethylbenzenethiol (CID 81291404) is 2-amino-5-bromo-3-ethylbenzenethiol.
What is the SMILES notation for 2-amino-5-bromo-3-ethylbenzenethiol?
The canonical SMILES for 2-amino-5-bromo-3-ethylbenzenethiol is CCc1cc(Br)cc(S)c1N.
What is the InChIKey of 2-amino-5-bromo-3-ethylbenzenethiol?
The InChIKey is QETLDZDNHJSKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNS/c1-2-5-3-6(9)4-7(11)8(5)10/h3-4,11H,2,10H2,1H3.
What are the key properties of 2-amino-5-bromo-3-ethylbenzenethiol?
2-amino-5-bromo-3-ethylbenzenethiol has a molecular weight of 232.15 g/mol, XLogP of 2.88, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-3-ethylbenzenethiol is sourced from PubChem (CID 81291404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).