2-phenylsulfanylethanimidamide

C8H10N2S — CID 2746029

IUPAC2-phenylsulfanylethanimidamide
SMILES[H]/N=C(\N)CSc1ccccc1
InChIInChI=1S/C8H10N2S/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5H,6H2,(H3,9,10)
InChIKeyQTFCJAKFFGFURL-UHFFFAOYSA-N
MW166.25 g/mol
LogP1.71
Rot. Bonds3

About 2-phenylsulfanylethanimidamide

2-phenylsulfanylethanimidamide (PubChem CID 2746029) has the molecular formula C8H10N2S and a molecular weight of 166.25 g/mol. Its IUPAC name is 2-phenylsulfanylethanimidamide.

Molecular Properties

Compound Name2-phenylsulfanylethanimidamide
PubChem CID2746029
Molecular FormulaC8H10N2S
Molecular Weight166.25 g/mol
Exact Mass166.06
IUPAC Name2-phenylsulfanylethanimidamide
SMILES[H]/N=C(\N)CSc1ccccc1
InChIInChI=1S/C8H10N2S/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5H,6H2,(H3,9,10)
InChIKeyQTFCJAKFFGFURL-UHFFFAOYSA-N
XLogP1.71
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.25
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-phenylsulfanylethanimidamide?
The IUPAC name of 2-phenylsulfanylethanimidamide (CID 2746029) is 2-phenylsulfanylethanimidamide.
What is the SMILES notation for 2-phenylsulfanylethanimidamide?
The canonical SMILES for 2-phenylsulfanylethanimidamide is [H]/N=C(\N)CSc1ccccc1.
What is the InChIKey of 2-phenylsulfanylethanimidamide?
The InChIKey is QTFCJAKFFGFURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2S/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5H,6H2,(H3,9,10).
What are the key properties of 2-phenylsulfanylethanimidamide?
2-phenylsulfanylethanimidamide has a molecular weight of 166.25 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylsulfanylethanimidamide is sourced from PubChem (CID 2746029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).