N-(prop-1-enyldisulfanyl)methanimine

C4H7NS2 — CID 91501942

IUPACN-(prop-1-enyldisulfanyl)methanimine
SMILESC=NSSC=CC
InChIInChI=1S/C4H7NS2/c1-3-4-6-7-5-2/h3-4H,2H2,1H3
InChIKeyRPJRGBSUUREWFP-UHFFFAOYSA-N
MW133.24 g/mol
LogP2.52
Rot. Bonds3

About N-(prop-1-enyldisulfanyl)methanimine

N-(prop-1-enyldisulfanyl)methanimine (PubChem CID 91501942) has the molecular formula C4H7NS2 and a molecular weight of 133.24 g/mol. Its IUPAC name is N-(prop-1-enyldisulfanyl)methanimine.

Molecular Properties

Compound NameN-(prop-1-enyldisulfanyl)methanimine
PubChem CID91501942
Molecular FormulaC4H7NS2
Molecular Weight133.24 g/mol
Exact Mass133.00
IUPAC NameN-(prop-1-enyldisulfanyl)methanimine
SMILESC=NSSC=CC
InChIInChI=1S/C4H7NS2/c1-3-4-6-7-5-2/h3-4H,2H2,1H3
InChIKeyRPJRGBSUUREWFP-UHFFFAOYSA-N
XLogP2.52
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.24
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-prop-1-enylsulfanylmethanimine
CID 123521876
N-[(Z)-prop-1-enyl]sulfanylmethanimine
CID 129276884
N-[(Z)-but-1-enyl]sulfanylmethanimine
CID 139565663
3-Isothiocyanatosulfanylprop-1-ene
CID 140154806
methyl-methylidene-[(Z)-prop-1-enyl]sulfanylazanium
CID 170034645

Frequently Asked Questions

What is the IUPAC name of N-(prop-1-enyldisulfanyl)methanimine?
The IUPAC name of N-(prop-1-enyldisulfanyl)methanimine (CID 91501942) is N-(prop-1-enyldisulfanyl)methanimine.
What is the SMILES notation for N-(prop-1-enyldisulfanyl)methanimine?
The canonical SMILES for N-(prop-1-enyldisulfanyl)methanimine is C=NSSC=CC.
What is the InChIKey of N-(prop-1-enyldisulfanyl)methanimine?
The InChIKey is RPJRGBSUUREWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NS2/c1-3-4-6-7-5-2/h3-4H,2H2,1H3.
What are the key properties of N-(prop-1-enyldisulfanyl)methanimine?
N-(prop-1-enyldisulfanyl)methanimine has a molecular weight of 133.24 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(prop-1-enyldisulfanyl)methanimine is sourced from PubChem (CID 91501942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).