(Z)-2-(methylamino)but-1-ene-1-thiol

C5H11NS — CID 88978512

IUPAC(Z)-2-(methylamino)but-1-ene-1-thiol
SMILESCC/C(=C/S)NC
InChIInChI=1S/C5H11NS/c1-3-5(4-7)6-2/h4,6-7H,3H2,1-2H3/b5-4-
InChIKeyNSABCVNJGWOZDG-PLNGDYQASA-N
MW117.22 g/mol
LogP1.39
Rot. Bonds2

About (Z)-2-(methylamino)but-1-ene-1-thiol

(Z)-2-(methylamino)but-1-ene-1-thiol (PubChem CID 88978512) has the molecular formula C5H11NS and a molecular weight of 117.22 g/mol. Its IUPAC name is (Z)-2-(methylamino)but-1-ene-1-thiol.

Molecular Properties

Compound Name(Z)-2-(methylamino)but-1-ene-1-thiol
PubChem CID88978512
Molecular FormulaC5H11NS
Molecular Weight117.22 g/mol
Exact Mass117.06
IUPAC Name(Z)-2-(methylamino)but-1-ene-1-thiol
SMILESCC/C(=C/S)NC
InChIInChI=1S/C5H11NS/c1-3-5(4-7)6-2/h4,6-7H,3H2,1-2H3/b5-4-
InChIKeyNSABCVNJGWOZDG-PLNGDYQASA-N
XLogP1.39
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.22
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze (Z)-2-(methylamino)but-1-ene-1-thiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(methylamino)but-1-ene-1-thiol?
The IUPAC name of (Z)-2-(methylamino)but-1-ene-1-thiol (CID 88978512) is (Z)-2-(methylamino)but-1-ene-1-thiol.
What is the SMILES notation for (Z)-2-(methylamino)but-1-ene-1-thiol?
The canonical SMILES for (Z)-2-(methylamino)but-1-ene-1-thiol is CC/C(=C/S)NC.
What is the InChIKey of (Z)-2-(methylamino)but-1-ene-1-thiol?
The InChIKey is NSABCVNJGWOZDG-PLNGDYQASA-N. The full InChI is InChI=1S/C5H11NS/c1-3-5(4-7)6-2/h4,6-7H,3H2,1-2H3/b5-4-.
What are the key properties of (Z)-2-(methylamino)but-1-ene-1-thiol?
(Z)-2-(methylamino)but-1-ene-1-thiol has a molecular weight of 117.22 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(methylamino)but-1-ene-1-thiol is sourced from PubChem (CID 88978512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).