2-(methylamino)prop-2-ene-1-thiol

C4H9NS — CID 135182208

IUPAC2-(methylamino)prop-2-ene-1-thiol
SMILESC=C(CS)NC
InChIInChI=1S/C4H9NS/c1-4(3-6)5-2/h5-6H,1,3H2,2H3
InChIKeyRRWWHYIBPUZXLJ-UHFFFAOYSA-N
MW103.19 g/mol
LogP0.65
Rot. Bonds2

About 2-(methylamino)prop-2-ene-1-thiol

2-(methylamino)prop-2-ene-1-thiol (PubChem CID 135182208) has the molecular formula C4H9NS and a molecular weight of 103.19 g/mol. Its IUPAC name is 2-(methylamino)prop-2-ene-1-thiol.

Molecular Properties

Compound Name2-(methylamino)prop-2-ene-1-thiol
PubChem CID135182208
Molecular FormulaC4H9NS
Molecular Weight103.19 g/mol
Exact Mass103.05
IUPAC Name2-(methylamino)prop-2-ene-1-thiol
SMILESC=C(CS)NC
InChIInChI=1S/C4H9NS/c1-4(3-6)5-2/h5-6H,1,3H2,2H3
InChIKeyRRWWHYIBPUZXLJ-UHFFFAOYSA-N
XLogP0.65
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.19
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)prop-2-ene-1-thiol?
The IUPAC name of 2-(methylamino)prop-2-ene-1-thiol (CID 135182208) is 2-(methylamino)prop-2-ene-1-thiol.
What is the SMILES notation for 2-(methylamino)prop-2-ene-1-thiol?
The canonical SMILES for 2-(methylamino)prop-2-ene-1-thiol is C=C(CS)NC.
What is the InChIKey of 2-(methylamino)prop-2-ene-1-thiol?
The InChIKey is RRWWHYIBPUZXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NS/c1-4(3-6)5-2/h5-6H,1,3H2,2H3.
What are the key properties of 2-(methylamino)prop-2-ene-1-thiol?
2-(methylamino)prop-2-ene-1-thiol has a molecular weight of 103.19 g/mol, XLogP of 0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)prop-2-ene-1-thiol is sourced from PubChem (CID 135182208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).