4-amino-2-(diethylaminosulfanyl)thiophen-3-ol

C8H14N2OS2 — CID 89295801

IUPAC4-amino-2-(diethylaminosulfanyl)thiophen-3-ol
SMILESCCN(CC)Sc1scc(N)c1O
InChIInChI=1S/C8H14N2OS2/c1-3-10(4-2)13-8-7(11)6(9)5-12-8/h5,11H,3-4,9H2,1-2H3
InChIKeyAOOONFVSKKBOIR-UHFFFAOYSA-N
MW218.35 g/mol
LogP2.38
Rot. Bonds4

About 4-amino-2-(diethylaminosulfanyl)thiophen-3-ol

4-amino-2-(diethylaminosulfanyl)thiophen-3-ol (PubChem CID 89295801) has the molecular formula C8H14N2OS2 and a molecular weight of 218.35 g/mol. Its IUPAC name is 4-amino-2-(diethylaminosulfanyl)thiophen-3-ol.

Molecular Properties

Compound Name4-amino-2-(diethylaminosulfanyl)thiophen-3-ol
PubChem CID89295801
Molecular FormulaC8H14N2OS2
Molecular Weight218.35 g/mol
Exact Mass218.05
IUPAC Name4-amino-2-(diethylaminosulfanyl)thiophen-3-ol
SMILESCCN(CC)Sc1scc(N)c1O
InChIInChI=1S/C8H14N2OS2/c1-3-10(4-2)13-8-7(11)6(9)5-12-8/h5,11H,3-4,9H2,1-2H3
InChIKeyAOOONFVSKKBOIR-UHFFFAOYSA-N
XLogP2.38
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.35
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(diethylaminosulfanyl)thiophen-3-ol?
The IUPAC name of 4-amino-2-(diethylaminosulfanyl)thiophen-3-ol (CID 89295801) is 4-amino-2-(diethylaminosulfanyl)thiophen-3-ol.
What is the SMILES notation for 4-amino-2-(diethylaminosulfanyl)thiophen-3-ol?
The canonical SMILES for 4-amino-2-(diethylaminosulfanyl)thiophen-3-ol is CCN(CC)Sc1scc(N)c1O.
What is the InChIKey of 4-amino-2-(diethylaminosulfanyl)thiophen-3-ol?
The InChIKey is AOOONFVSKKBOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS2/c1-3-10(4-2)13-8-7(11)6(9)5-12-8/h5,11H,3-4,9H2,1-2H3.
What are the key properties of 4-amino-2-(diethylaminosulfanyl)thiophen-3-ol?
4-amino-2-(diethylaminosulfanyl)thiophen-3-ol has a molecular weight of 218.35 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(diethylaminosulfanyl)thiophen-3-ol is sourced from PubChem (CID 89295801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).