methyl-methylidene-[(Z)-prop-1-enyl]sulfanylazanium

C5H10NS+ — CID 170034645

IUPACmethyl-methylidene-[(Z)-prop-1-enyl]sulfanylazanium
SMILESC=[N+](C)S/C=C\C
InChIInChI=1S/C5H10NS/c1-4-5-7-6(2)3/h4-5H,2H2,1,3H3/q+1/b5-4-
InChIKeyACPRATSTPSDGKM-PLNGDYQASA-N
MW116.21 g/mol
LogP1.51
Rot. Bonds2

About methyl-methylidene-[(Z)-prop-1-enyl]sulfanylazanium

methyl-methylidene-[(Z)-prop-1-enyl]sulfanylazanium (PubChem CID 170034645) has the molecular formula C5H10NS+ and a molecular weight of 116.21 g/mol. Its IUPAC name is methyl-methylidene-[(Z)-prop-1-enyl]sulfanylazanium.

Molecular Properties

Compound Namemethyl-methylidene-[(Z)-prop-1-enyl]sulfanylazanium
PubChem CID170034645
Molecular FormulaC5H10NS+
Molecular Weight116.21 g/mol
Exact Mass116.05
IUPAC Namemethyl-methylidene-[(Z)-prop-1-enyl]sulfanylazanium
SMILESC=[N+](C)S/C=C\C
InChIInChI=1S/C5H10NS/c1-4-5-7-6(2)3/h4-5H,2H2,1,3H3/q+1/b5-4-
InChIKeyACPRATSTPSDGKM-PLNGDYQASA-N
XLogP1.51
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.21
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_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 methyl-methylidene-[(Z)-prop-1-enyl]sulfanylazanium?
The IUPAC name of methyl-methylidene-[(Z)-prop-1-enyl]sulfanylazanium (CID 170034645) is methyl-methylidene-[(Z)-prop-1-enyl]sulfanylazanium.
What is the SMILES notation for methyl-methylidene-[(Z)-prop-1-enyl]sulfanylazanium?
The canonical SMILES for methyl-methylidene-[(Z)-prop-1-enyl]sulfanylazanium is C=[N+](C)S/C=C\C.
What is the InChIKey of methyl-methylidene-[(Z)-prop-1-enyl]sulfanylazanium?
The InChIKey is ACPRATSTPSDGKM-PLNGDYQASA-N. The full InChI is InChI=1S/C5H10NS/c1-4-5-7-6(2)3/h4-5H,2H2,1,3H3/q+1/b5-4-.
What are the key properties of methyl-methylidene-[(Z)-prop-1-enyl]sulfanylazanium?
methyl-methylidene-[(Z)-prop-1-enyl]sulfanylazanium has a molecular weight of 116.21 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-methylidene-[(Z)-prop-1-enyl]sulfanylazanium is sourced from PubChem (CID 170034645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).