(Z)-N-sulfidopent-3-en-2-imine

C5H8NS- — CID 163893877

IUPAC(Z)-N-sulfidopent-3-en-2-imine
SMILESC/C=C\C(C)=N[S-]
InChIInChI=1S/C5H9NS/c1-3-4-5(2)6-7/h3-4,7H,1-2H3/p-1/b4-3-,6-5?
InChIKeyQDXJUERMAVQWNH-KWRQCDRVSA-M
MW114.19 g/mol
LogP1.49
Rot. Bonds1

About (Z)-N-sulfidopent-3-en-2-imine

(Z)-N-sulfidopent-3-en-2-imine (PubChem CID 163893877) has the molecular formula C5H8NS- and a molecular weight of 114.19 g/mol. Its IUPAC name is (Z)-N-sulfidopent-3-en-2-imine.

Molecular Properties

Compound Name(Z)-N-sulfidopent-3-en-2-imine
PubChem CID163893877
Molecular FormulaC5H8NS-
Molecular Weight114.19 g/mol
Exact Mass114.04
IUPAC Name(Z)-N-sulfidopent-3-en-2-imine
SMILESC/C=C\C(C)=N[S-]
InChIInChI=1S/C5H9NS/c1-3-4-5(2)6-7/h3-4,7H,1-2H3/p-1/b4-3-,6-5?
InChIKeyQDXJUERMAVQWNH-KWRQCDRVSA-M
XLogP1.49
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-sulfidopent-3-en-2-imine?
The IUPAC name of (Z)-N-sulfidopent-3-en-2-imine (CID 163893877) is (Z)-N-sulfidopent-3-en-2-imine.
What is the SMILES notation for (Z)-N-sulfidopent-3-en-2-imine?
The canonical SMILES for (Z)-N-sulfidopent-3-en-2-imine is C/C=C\C(C)=N[S-].
What is the InChIKey of (Z)-N-sulfidopent-3-en-2-imine?
The InChIKey is QDXJUERMAVQWNH-KWRQCDRVSA-M. The full InChI is InChI=1S/C5H9NS/c1-3-4-5(2)6-7/h3-4,7H,1-2H3/p-1/b4-3-,6-5?.
What are the key properties of (Z)-N-sulfidopent-3-en-2-imine?
(Z)-N-sulfidopent-3-en-2-imine has a molecular weight of 114.19 g/mol, XLogP of 1.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-sulfidopent-3-en-2-imine is sourced from PubChem (CID 163893877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).