methanidyl-methyl-prop-2-enethioylazanium

C5H9NS — CID 59820653

IUPACmethanidyl-methyl-prop-2-enethioylazanium
SMILESC=CC(=S)[NH+]([CH2-])C
InChIInChI=1S/C5H9NS/c1-4-5(7)6(2)3/h4,6H,1-2H2,3H3
InChIKeyCGKAGLJEAPMPGD-UHFFFAOYSA-N
MW115.20 g/mol
LogP-0.19
Rot. Bonds1

About methanidyl-methyl-prop-2-enethioylazanium

methanidyl-methyl-prop-2-enethioylazanium (PubChem CID 59820653) has the molecular formula C5H9NS and a molecular weight of 115.20 g/mol. Its IUPAC name is methanidyl-methyl-prop-2-enethioylazanium.

Molecular Properties

Compound Namemethanidyl-methyl-prop-2-enethioylazanium
PubChem CID59820653
Molecular FormulaC5H9NS
Molecular Weight115.20 g/mol
Exact Mass115.05
IUPAC Namemethanidyl-methyl-prop-2-enethioylazanium
SMILESC=CC(=S)[NH+]([CH2-])C
InChIInChI=1S/C5H9NS/c1-4-5(7)6(2)3/h4,6H,1-2H2,3H3
InChIKeyCGKAGLJEAPMPGD-UHFFFAOYSA-N
XLogP-0.19
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.20
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methanidyl-methyl-prop-2-enethioylazanium?
The IUPAC name of methanidyl-methyl-prop-2-enethioylazanium (CID 59820653) is methanidyl-methyl-prop-2-enethioylazanium.
What is the SMILES notation for methanidyl-methyl-prop-2-enethioylazanium?
The canonical SMILES for methanidyl-methyl-prop-2-enethioylazanium is C=CC(=S)[NH+]([CH2-])C.
What is the InChIKey of methanidyl-methyl-prop-2-enethioylazanium?
The InChIKey is CGKAGLJEAPMPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NS/c1-4-5(7)6(2)3/h4,6H,1-2H2,3H3.
What are the key properties of methanidyl-methyl-prop-2-enethioylazanium?
methanidyl-methyl-prop-2-enethioylazanium has a molecular weight of 115.20 g/mol, XLogP of -0.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methanidyl-methyl-prop-2-enethioylazanium is sourced from PubChem (CID 59820653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).