bis(prop-2-enyl)-(2-sulfanylethyl)azanium

C8H16NS+ — CID 40511787

IUPACbis(prop-2-enyl)-(2-sulfanylethyl)azanium
SMILESC=CC[NH+](CC=C)CCS
InChIInChI=1S/C8H15NS/c1-3-5-9(6-4-2)7-8-10/h3-4,10H,1-2,5-8H2/p+1
InChIKeyMUNCUGLIPQTLKH-UHFFFAOYSA-O
MW158.29 g/mol
LogP0.17
Rot. Bonds6

About bis(prop-2-enyl)-(2-sulfanylethyl)azanium

bis(prop-2-enyl)-(2-sulfanylethyl)azanium (PubChem CID 40511787) has the molecular formula C8H16NS+ and a molecular weight of 158.29 g/mol. Its IUPAC name is bis(prop-2-enyl)-(2-sulfanylethyl)azanium.

Molecular Properties

Compound Namebis(prop-2-enyl)-(2-sulfanylethyl)azanium
PubChem CID40511787
Molecular FormulaC8H16NS+
Molecular Weight158.29 g/mol
Exact Mass158.10
IUPAC Namebis(prop-2-enyl)-(2-sulfanylethyl)azanium
SMILESC=CC[NH+](CC=C)CCS
InChIInChI=1S/C8H15NS/c1-3-5-9(6-4-2)7-8-10/h3-4,10H,1-2,5-8H2/p+1
InChIKeyMUNCUGLIPQTLKH-UHFFFAOYSA-O
XLogP0.17
TPSA4.44 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.29
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Ethanethiol, 2-allylamino-
CID 201366
Ethanethiol, 2-(hex-2-en-4-ynylamino)-, (E)-
CID 6447463
1-(Prop-2-enylamino)propane-2-thiol
CID 10898753
4-(Prop-2-enylamino)butane-1-thiol
CID 20203382
3-(Prop-2-enylamino)propane-1-thiol
CID 20203402
1-(Prop-2-enylamino)ethanethiol
CID 57101483
2-(Prop-2-enylamino)ethanethial
CID 88198450
1-(Pentylamino)prop-2-ene-1-thiol
CID 88484369
1-(Prop-2-enylamino)propane-1-thiol
CID 88705860
1-(Prop-2-enylamino)butane-1-thiol
CID 88706679
N-[2-(2-aminoethyldisulfanyl)ethyl]prop-2-en-1-amine
CID 142721896
(Z)-3-(propylamino)prop-1-ene-1-thiol
CID 143945032

Frequently Asked Questions

What is the IUPAC name of bis(prop-2-enyl)-(2-sulfanylethyl)azanium?
The IUPAC name of bis(prop-2-enyl)-(2-sulfanylethyl)azanium (CID 40511787) is bis(prop-2-enyl)-(2-sulfanylethyl)azanium.
What is the SMILES notation for bis(prop-2-enyl)-(2-sulfanylethyl)azanium?
The canonical SMILES for bis(prop-2-enyl)-(2-sulfanylethyl)azanium is C=CC[NH+](CC=C)CCS.
What is the InChIKey of bis(prop-2-enyl)-(2-sulfanylethyl)azanium?
The InChIKey is MUNCUGLIPQTLKH-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H15NS/c1-3-5-9(6-4-2)7-8-10/h3-4,10H,1-2,5-8H2/p+1.
What are the key properties of bis(prop-2-enyl)-(2-sulfanylethyl)azanium?
bis(prop-2-enyl)-(2-sulfanylethyl)azanium has a molecular weight of 158.29 g/mol, XLogP of 0.17, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(prop-2-enyl)-(2-sulfanylethyl)azanium is sourced from PubChem (CID 40511787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).