[methoxy(oxido)azaniumyl]sulfanylethene

C3H7NO2S — CID 163870949

IUPAC[methoxy(oxido)azaniumyl]sulfanylethene
SMILESC=CS[NH+]([O-])OC
InChIInChI=1S/C3H7NO2S/c1-3-7-4(5)6-2/h3-4H,1H2,2H3
InChIKeyPKSSEULLAQJYPH-UHFFFAOYSA-N
MW121.16 g/mol
LogP-0.28
Rot. Bonds3

About [methoxy(oxido)azaniumyl]sulfanylethene

[methoxy(oxido)azaniumyl]sulfanylethene (PubChem CID 163870949) has the molecular formula C3H7NO2S and a molecular weight of 121.16 g/mol. Its IUPAC name is [methoxy(oxido)azaniumyl]sulfanylethene.

Molecular Properties

Compound Name[methoxy(oxido)azaniumyl]sulfanylethene
PubChem CID163870949
Molecular FormulaC3H7NO2S
Molecular Weight121.16 g/mol
Exact Mass121.02
IUPAC Name[methoxy(oxido)azaniumyl]sulfanylethene
SMILESC=CS[NH+]([O-])OC
InChIInChI=1S/C3H7NO2S/c1-3-7-4(5)6-2/h3-4H,1H2,2H3
InChIKeyPKSSEULLAQJYPH-UHFFFAOYSA-N
XLogP-0.28
TPSA36.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.16
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;ethenylsulfanylethene
CID 142048646
CID 54228796
CID 54228796
N-[methoxy(oxido)azaniumyl]oxymethanamine oxide
CID 163801000
[[methoxy(oxido)azaniumyl]-(methylideneamino)amino]methane
CID 163823086
methoxyethene;molecular hydrogen
CID 173062659
bromoethene;ethenyl(trimethoxy)silane
CID 174864821
N,N'-dimethoxyhexane-1,6-diamine oxide
CID 163773390
dicalcium;disodium;(Z)-but-2-enedioate;hydride;methoxyethene
CID 173339748
1-ethenylsulfanylpropyl(trimethoxy)silane
CID 21425881
N-ethoxy-2-methylbut-3-en-2-amine oxide
CID 87851647
cyclohexene;methoxyethene
CID 89422432
3-methoxypent-4-en-2-amine
CID 90962870

Frequently Asked Questions

What is the IUPAC name of [methoxy(oxido)azaniumyl]sulfanylethene?
The IUPAC name of [methoxy(oxido)azaniumyl]sulfanylethene (CID 163870949) is [methoxy(oxido)azaniumyl]sulfanylethene.
What is the SMILES notation for [methoxy(oxido)azaniumyl]sulfanylethene?
The canonical SMILES for [methoxy(oxido)azaniumyl]sulfanylethene is C=CS[NH+]([O-])OC.
What is the InChIKey of [methoxy(oxido)azaniumyl]sulfanylethene?
The InChIKey is PKSSEULLAQJYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO2S/c1-3-7-4(5)6-2/h3-4H,1H2,2H3.
What are the key properties of [methoxy(oxido)azaniumyl]sulfanylethene?
[methoxy(oxido)azaniumyl]sulfanylethene has a molecular weight of 121.16 g/mol, XLogP of -0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [methoxy(oxido)azaniumyl]sulfanylethene is sourced from PubChem (CID 163870949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).