N'-(2-sulfanylethyl)methanimidamide

C3H8N2S — CID 12801782

IUPACN'-(2-sulfanylethyl)methanimidamide
SMILESN/C=N/CCS
InChIInChI=1S/C3H8N2S/c4-3-5-1-2-6/h3,6H,1-2H2,(H2,4,5)
InChIKeyINYSHFQQWIZFKO-UHFFFAOYSA-N
MW104.18 g/mol
LogP-0.10
Rot. Bonds2

About N'-(2-sulfanylethyl)methanimidamide

N'-(2-sulfanylethyl)methanimidamide (PubChem CID 12801782) has the molecular formula C3H8N2S and a molecular weight of 104.18 g/mol. Its IUPAC name is N'-(2-sulfanylethyl)methanimidamide.

Molecular Properties

Compound NameN'-(2-sulfanylethyl)methanimidamide
PubChem CID12801782
Molecular FormulaC3H8N2S
Molecular Weight104.18 g/mol
Exact Mass104.04
IUPAC NameN'-(2-sulfanylethyl)methanimidamide
SMILESN/C=N/CCS
InChIInChI=1S/C3H8N2S/c4-3-5-1-2-6/h3,6H,1-2H2,(H2,4,5)
InChIKeyINYSHFQQWIZFKO-UHFFFAOYSA-N
XLogP-0.10
TPSA38.38 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.18
LogP ≤ 5-0.10
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'-(2-sulfanylethyl)methanimidamide?
The IUPAC name of N'-(2-sulfanylethyl)methanimidamide (CID 12801782) is N'-(2-sulfanylethyl)methanimidamide.
What is the SMILES notation for N'-(2-sulfanylethyl)methanimidamide?
The canonical SMILES for N'-(2-sulfanylethyl)methanimidamide is N/C=N/CCS.
What is the InChIKey of N'-(2-sulfanylethyl)methanimidamide?
The InChIKey is INYSHFQQWIZFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2S/c4-3-5-1-2-6/h3,6H,1-2H2,(H2,4,5).
What are the key properties of N'-(2-sulfanylethyl)methanimidamide?
N'-(2-sulfanylethyl)methanimidamide has a molecular weight of 104.18 g/mol, XLogP of -0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-sulfanylethyl)methanimidamide is sourced from PubChem (CID 12801782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).