2-[2-(ethylamino)phenyl]sulfanylethanethiol

C10H15NS2 — CID 10584709

IUPAC2-[2-(ethylamino)phenyl]sulfanylethanethiol
SMILESCCNc1ccccc1SCCS
InChIInChI=1S/C10H15NS2/c1-2-11-9-5-3-4-6-10(9)13-8-7-12/h3-6,11-12H,2,7-8H2,1H3
InChIKeyXJOIFTHEYUDLBJ-UHFFFAOYSA-N
MW213.37 g/mol
LogP3.14
Rot. Bonds5

About 2-[2-(ethylamino)phenyl]sulfanylethanethiol

2-[2-(ethylamino)phenyl]sulfanylethanethiol (PubChem CID 10584709) has the molecular formula C10H15NS2 and a molecular weight of 213.37 g/mol. Its IUPAC name is 2-[2-(ethylamino)phenyl]sulfanylethanethiol.

Molecular Properties

Compound Name2-[2-(ethylamino)phenyl]sulfanylethanethiol
PubChem CID10584709
Molecular FormulaC10H15NS2
Molecular Weight213.37 g/mol
Exact Mass213.06
IUPAC Name2-[2-(ethylamino)phenyl]sulfanylethanethiol
SMILESCCNc1ccccc1SCCS
InChIInChI=1S/C10H15NS2/c1-2-11-9-5-3-4-6-10(9)13-8-7-12/h3-6,11-12H,2,7-8H2,1H3
InChIKeyXJOIFTHEYUDLBJ-UHFFFAOYSA-N
XLogP3.14
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(ethylamino)phenyl]sulfanylethanethiol?
The IUPAC name of 2-[2-(ethylamino)phenyl]sulfanylethanethiol (CID 10584709) is 2-[2-(ethylamino)phenyl]sulfanylethanethiol.
What is the SMILES notation for 2-[2-(ethylamino)phenyl]sulfanylethanethiol?
The canonical SMILES for 2-[2-(ethylamino)phenyl]sulfanylethanethiol is CCNc1ccccc1SCCS.
What is the InChIKey of 2-[2-(ethylamino)phenyl]sulfanylethanethiol?
The InChIKey is XJOIFTHEYUDLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NS2/c1-2-11-9-5-3-4-6-10(9)13-8-7-12/h3-6,11-12H,2,7-8H2,1H3.
What are the key properties of 2-[2-(ethylamino)phenyl]sulfanylethanethiol?
2-[2-(ethylamino)phenyl]sulfanylethanethiol has a molecular weight of 213.37 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethylamino)phenyl]sulfanylethanethiol is sourced from PubChem (CID 10584709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).