4-(methylamino)pent-4-ene-1-thiol

C6H13NS — CID 58262283

IUPAC4-(methylamino)pent-4-ene-1-thiol
SMILESC=C(CCCS)NC
InChIInChI=1S/C6H13NS/c1-6(7-2)4-3-5-8/h7-8H,1,3-5H2,2H3
InChIKeyLHORHGQGBQTLSV-UHFFFAOYSA-N
MW131.24 g/mol
LogP1.43
Rot. Bonds4

About 4-(methylamino)pent-4-ene-1-thiol

4-(methylamino)pent-4-ene-1-thiol (PubChem CID 58262283) has the molecular formula C6H13NS and a molecular weight of 131.24 g/mol. Its IUPAC name is 4-(methylamino)pent-4-ene-1-thiol.

Molecular Properties

Compound Name4-(methylamino)pent-4-ene-1-thiol
PubChem CID58262283
Molecular FormulaC6H13NS
Molecular Weight131.24 g/mol
Exact Mass131.08
IUPAC Name4-(methylamino)pent-4-ene-1-thiol
SMILESC=C(CCCS)NC
InChIInChI=1S/C6H13NS/c1-6(7-2)4-3-5-8/h7-8H,1,3-5H2,2H3
InChIKeyLHORHGQGBQTLSV-UHFFFAOYSA-N
XLogP1.43
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.24
LogP ≤ 51.43
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 4-(methylamino)pent-4-ene-1-thiol?
The IUPAC name of 4-(methylamino)pent-4-ene-1-thiol (CID 58262283) is 4-(methylamino)pent-4-ene-1-thiol.
What is the SMILES notation for 4-(methylamino)pent-4-ene-1-thiol?
The canonical SMILES for 4-(methylamino)pent-4-ene-1-thiol is C=C(CCCS)NC.
What is the InChIKey of 4-(methylamino)pent-4-ene-1-thiol?
The InChIKey is LHORHGQGBQTLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NS/c1-6(7-2)4-3-5-8/h7-8H,1,3-5H2,2H3.
What are the key properties of 4-(methylamino)pent-4-ene-1-thiol?
4-(methylamino)pent-4-ene-1-thiol has a molecular weight of 131.24 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)pent-4-ene-1-thiol is sourced from PubChem (CID 58262283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).