N-(ethylideneamino)sulfanyl-3-methylsulfanylprop-2-en-1-imine

C6H10N2S2 — CID 123552842

IUPACN-(ethylideneamino)sulfanyl-3-methylsulfanylprop-2-en-1-imine
SMILESCC=NSN=CC=CSC
InChIInChI=1S/C6H10N2S2/c1-3-7-10-8-5-4-6-9-2/h3-6H,1-2H3
InChIKeyZXQGZVAEAACIRS-UHFFFAOYSA-N
MW174.29 g/mol
LogP2.59
Rot. Bonds4

About N-(ethylideneamino)sulfanyl-3-methylsulfanylprop-2-en-1-imine

N-(ethylideneamino)sulfanyl-3-methylsulfanylprop-2-en-1-imine (PubChem CID 123552842) has the molecular formula C6H10N2S2 and a molecular weight of 174.29 g/mol. Its IUPAC name is N-(ethylideneamino)sulfanyl-3-methylsulfanylprop-2-en-1-imine.

Molecular Properties

Compound NameN-(ethylideneamino)sulfanyl-3-methylsulfanylprop-2-en-1-imine
PubChem CID123552842
Molecular FormulaC6H10N2S2
Molecular Weight174.29 g/mol
Exact Mass174.03
IUPAC NameN-(ethylideneamino)sulfanyl-3-methylsulfanylprop-2-en-1-imine
SMILESCC=NSN=CC=CSC
InChIInChI=1S/C6H10N2S2/c1-3-7-10-8-5-4-6-9-2/h3-6H,1-2H3
InChIKeyZXQGZVAEAACIRS-UHFFFAOYSA-N
XLogP2.59
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 N-(ethylideneamino)sulfanyl-3-methylsulfanylprop-2-en-1-imine?
The IUPAC name of N-(ethylideneamino)sulfanyl-3-methylsulfanylprop-2-en-1-imine (CID 123552842) is N-(ethylideneamino)sulfanyl-3-methylsulfanylprop-2-en-1-imine.
What is the SMILES notation for N-(ethylideneamino)sulfanyl-3-methylsulfanylprop-2-en-1-imine?
The canonical SMILES for N-(ethylideneamino)sulfanyl-3-methylsulfanylprop-2-en-1-imine is CC=NSN=CC=CSC.
What is the InChIKey of N-(ethylideneamino)sulfanyl-3-methylsulfanylprop-2-en-1-imine?
The InChIKey is ZXQGZVAEAACIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2S2/c1-3-7-10-8-5-4-6-9-2/h3-6H,1-2H3.
What are the key properties of N-(ethylideneamino)sulfanyl-3-methylsulfanylprop-2-en-1-imine?
N-(ethylideneamino)sulfanyl-3-methylsulfanylprop-2-en-1-imine has a molecular weight of 174.29 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylideneamino)sulfanyl-3-methylsulfanylprop-2-en-1-imine is sourced from PubChem (CID 123552842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).