N'-naphthalen-1-yl-2-sulfanylethanimidamide

C12H12N2S — CID 90668652

IUPACN'-naphthalen-1-yl-2-sulfanylethanimidamide
SMILESN/C(CS)=N/c1cccc2ccccc12
InChIInChI=1S/C12H12N2S/c13-12(8-15)14-11-7-3-5-9-4-1-2-6-10(9)11/h1-7,15H,8H2,(H2,13,14)
InChIKeyNIEBWDAYNRNWQN-UHFFFAOYSA-N
MW216.31 g/mol
LogP2.76
Rot. Bonds2

About N'-naphthalen-1-yl-2-sulfanylethanimidamide

N'-naphthalen-1-yl-2-sulfanylethanimidamide (PubChem CID 90668652) has the molecular formula C12H12N2S and a molecular weight of 216.31 g/mol. Its IUPAC name is N'-naphthalen-1-yl-2-sulfanylethanimidamide.

Molecular Properties

Compound NameN'-naphthalen-1-yl-2-sulfanylethanimidamide
PubChem CID90668652
Molecular FormulaC12H12N2S
Molecular Weight216.31 g/mol
Exact Mass216.07
IUPAC NameN'-naphthalen-1-yl-2-sulfanylethanimidamide
SMILESN/C(CS)=N/c1cccc2ccccc12
InChIInChI=1S/C12H12N2S/c13-12(8-15)14-11-7-3-5-9-4-1-2-6-10(9)11/h1-7,15H,8H2,(H2,13,14)
InChIKeyNIEBWDAYNRNWQN-UHFFFAOYSA-N
XLogP2.76
TPSA38.38 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 52.76
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'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-naphthalen-1-yl-2-sulfanylethanimidamide?
The IUPAC name of N'-naphthalen-1-yl-2-sulfanylethanimidamide (CID 90668652) is N'-naphthalen-1-yl-2-sulfanylethanimidamide.
What is the SMILES notation for N'-naphthalen-1-yl-2-sulfanylethanimidamide?
The canonical SMILES for N'-naphthalen-1-yl-2-sulfanylethanimidamide is N/C(CS)=N/c1cccc2ccccc12.
What is the InChIKey of N'-naphthalen-1-yl-2-sulfanylethanimidamide?
The InChIKey is NIEBWDAYNRNWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2S/c13-12(8-15)14-11-7-3-5-9-4-1-2-6-10(9)11/h1-7,15H,8H2,(H2,13,14).
What are the key properties of N'-naphthalen-1-yl-2-sulfanylethanimidamide?
N'-naphthalen-1-yl-2-sulfanylethanimidamide has a molecular weight of 216.31 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-naphthalen-1-yl-2-sulfanylethanimidamide is sourced from PubChem (CID 90668652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).