5-amino-2-ethylbenzenethiol

C8H11NS — CID 13245129

IUPAC5-amino-2-ethylbenzenethiol
SMILESCCc1ccc(N)cc1S
InChIInChI=1S/C8H11NS/c1-2-6-3-4-7(9)5-8(6)10/h3-5,10H,2,9H2,1H3
InChIKeyJREMCJMQTXOECJ-UHFFFAOYSA-N
MW153.25 g/mol
LogP2.12
Rot. Bonds1

About 5-amino-2-ethylbenzenethiol

5-amino-2-ethylbenzenethiol (PubChem CID 13245129) has the molecular formula C8H11NS and a molecular weight of 153.25 g/mol. Its IUPAC name is 5-amino-2-ethylbenzenethiol.

Molecular Properties

Compound Name5-amino-2-ethylbenzenethiol
PubChem CID13245129
Molecular FormulaC8H11NS
Molecular Weight153.25 g/mol
Exact Mass153.06
IUPAC Name5-amino-2-ethylbenzenethiol
SMILESCCc1ccc(N)cc1S
InChIInChI=1S/C8H11NS/c1-2-6-3-4-7(9)5-8(6)10/h3-5,10H,2,9H2,1H3
InChIKeyJREMCJMQTXOECJ-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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Related Compounds

5-amino-2-butylbenzenethiol
CID 57226028
2-ethyl-5-methylbenzenethiol
CID 91873863
carbon dioxide;4-ethyl-3-fluoroaniline
CID 158926193
4-ethyl-3-sulfanylbenzoic acid
CID 91874390
3-ethyl-4-methylaniline;hydrochloride
CID 23499109
1-(5-amino-2-ethylphenyl)ethanol
CID 143497915
4-ethyl-3-(2-methoxyethyl)aniline
CID 175252801
1-(5-amino-2-ethylphenyl)ethanol;ethane
CID 143497914
N-(4-ethyl-3-sulfanylphenyl)acetamide
CID 130011196
2,4-diamino-3,5-diethylbenzenethiol
CID 150249754
4-bromo-3-(trifluoromethyl)aniline;4-ethyl-3-(trifluoromethyl)aniline
CID 158064528
4-(3,5-dimethylpiperidin-1-yl)-3-ethylaniline
CID 91681118

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-ethylbenzenethiol?
The IUPAC name of 5-amino-2-ethylbenzenethiol (CID 13245129) is 5-amino-2-ethylbenzenethiol.
What is the SMILES notation for 5-amino-2-ethylbenzenethiol?
The canonical SMILES for 5-amino-2-ethylbenzenethiol is CCc1ccc(N)cc1S.
What is the InChIKey of 5-amino-2-ethylbenzenethiol?
The InChIKey is JREMCJMQTXOECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS/c1-2-6-3-4-7(9)5-8(6)10/h3-5,10H,2,9H2,1H3.
What are the key properties of 5-amino-2-ethylbenzenethiol?
5-amino-2-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 5-amino-2-ethylbenzenethiol is sourced from PubChem (CID 13245129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).