(E)-3-aminobut-1-ene-1-thiol;methylhydrazine

C5H15N3S — CID 144517889

IUPAC(E)-3-aminobut-1-ene-1-thiol;methylhydrazine
SMILESCC(N)/C=C/S.CNN
InChIInChI=1S/C4H9NS.CH6N2/c1-4(5)2-3-6;1-3-2/h2-4,6H,5H2,1H3;3H,2H2,1H3/b3-2+;
InChIKeyROJJLYRCKNMCTD-SQQVDAMQSA-N
MW149.26 g/mol
LogP-0.14
Rot. Bonds1

About (E)-3-aminobut-1-ene-1-thiol;methylhydrazine

(E)-3-aminobut-1-ene-1-thiol;methylhydrazine (PubChem CID 144517889) has the molecular formula C5H15N3S and a molecular weight of 149.26 g/mol. Its IUPAC name is (E)-3-aminobut-1-ene-1-thiol;methylhydrazine.

Molecular Properties

Compound Name(E)-3-aminobut-1-ene-1-thiol;methylhydrazine
PubChem CID144517889
Molecular FormulaC5H15N3S
Molecular Weight149.26 g/mol
Exact Mass149.10
IUPAC Name(E)-3-aminobut-1-ene-1-thiol;methylhydrazine
SMILESCC(N)/C=C/S.CNN
InChIInChI=1S/C4H9NS.CH6N2/c1-4(5)2-3-6;1-3-2/h2-4,6H,5H2,1H3;3H,2H2,1H3/b3-2+;
InChIKeyROJJLYRCKNMCTD-SQQVDAMQSA-N
XLogP-0.14
TPSA64.07 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.26
LogP ≤ 5-0.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-aminobut-1-ene-1-thiol;methylhydrazine?
The IUPAC name of (E)-3-aminobut-1-ene-1-thiol;methylhydrazine (CID 144517889) is (E)-3-aminobut-1-ene-1-thiol;methylhydrazine.
What is the SMILES notation for (E)-3-aminobut-1-ene-1-thiol;methylhydrazine?
The canonical SMILES for (E)-3-aminobut-1-ene-1-thiol;methylhydrazine is CC(N)/C=C/S.CNN.
What is the InChIKey of (E)-3-aminobut-1-ene-1-thiol;methylhydrazine?
The InChIKey is ROJJLYRCKNMCTD-SQQVDAMQSA-N. The full InChI is InChI=1S/C4H9NS.CH6N2/c1-4(5)2-3-6;1-3-2/h2-4,6H,5H2,1H3;3H,2H2,1H3/b3-2+;.
What are the key properties of (E)-3-aminobut-1-ene-1-thiol;methylhydrazine?
(E)-3-aminobut-1-ene-1-thiol;methylhydrazine has a molecular weight of 149.26 g/mol, XLogP of -0.14, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-aminobut-1-ene-1-thiol;methylhydrazine is sourced from PubChem (CID 144517889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).