S-[(E)-3-(ethylamino)-2-methylprop-1-enyl]thiohydroxylamine

C6H14N2S — CID 89243600

IUPACS-[(E)-3-(ethylamino)-2-methylprop-1-enyl]thiohydroxylamine
SMILESCCNC/C(C)=C/SN
InChIInChI=1S/C6H14N2S/c1-3-8-4-6(2)5-9-7/h5,8H,3-4,7H2,1-2H3/b6-5+
InChIKeyBVCURNCLCYDYGU-AATRIKPKSA-N
MW146.26 g/mol
LogP1.11
Rot. Bonds4

About S-[(E)-3-(ethylamino)-2-methylprop-1-enyl]thiohydroxylamine

S-[(E)-3-(ethylamino)-2-methylprop-1-enyl]thiohydroxylamine (PubChem CID 89243600) has the molecular formula C6H14N2S and a molecular weight of 146.26 g/mol. Its IUPAC name is S-[(E)-3-(ethylamino)-2-methylprop-1-enyl]thiohydroxylamine.

Molecular Properties

Compound NameS-[(E)-3-(ethylamino)-2-methylprop-1-enyl]thiohydroxylamine
PubChem CID89243600
Molecular FormulaC6H14N2S
Molecular Weight146.26 g/mol
Exact Mass146.09
IUPAC NameS-[(E)-3-(ethylamino)-2-methylprop-1-enyl]thiohydroxylamine
SMILESCCNC/C(C)=C/SN
InChIInChI=1S/C6H14N2S/c1-3-8-4-6(2)5-9-7/h5,8H,3-4,7H2,1-2H3/b6-5+
InChIKeyBVCURNCLCYDYGU-AATRIKPKSA-N
XLogP1.11
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.26
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of S-[(E)-3-(ethylamino)-2-methylprop-1-enyl]thiohydroxylamine?
The IUPAC name of S-[(E)-3-(ethylamino)-2-methylprop-1-enyl]thiohydroxylamine (CID 89243600) is S-[(E)-3-(ethylamino)-2-methylprop-1-enyl]thiohydroxylamine.
What is the SMILES notation for S-[(E)-3-(ethylamino)-2-methylprop-1-enyl]thiohydroxylamine?
The canonical SMILES for S-[(E)-3-(ethylamino)-2-methylprop-1-enyl]thiohydroxylamine is CCNC/C(C)=C/SN.
What is the InChIKey of S-[(E)-3-(ethylamino)-2-methylprop-1-enyl]thiohydroxylamine?
The InChIKey is BVCURNCLCYDYGU-AATRIKPKSA-N. The full InChI is InChI=1S/C6H14N2S/c1-3-8-4-6(2)5-9-7/h5,8H,3-4,7H2,1-2H3/b6-5+.
What are the key properties of S-[(E)-3-(ethylamino)-2-methylprop-1-enyl]thiohydroxylamine?
S-[(E)-3-(ethylamino)-2-methylprop-1-enyl]thiohydroxylamine has a molecular weight of 146.26 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for S-[(E)-3-(ethylamino)-2-methylprop-1-enyl]thiohydroxylamine is sourced from PubChem (CID 89243600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).