N-[2,2-bis(methylsulfanyl)ethenyl]-N-oxidohydroxylamine

C4H8NO2S2- — CID 163171758

IUPACN-[2,2-bis(methylsulfanyl)ethenyl]-N-oxidohydroxylamine
SMILESCSC(=CN([O-])O)SC
InChIInChI=1S/C4H8NO2S2/c1-8-4(9-2)3-5(6)7/h3,6H,1-2H3/q-1
InChIKeyDCAYTCXOPUTPFS-UHFFFAOYSA-N
MW166.25 g/mol
LogP1.70
Rot. Bonds3

About N-[2,2-bis(methylsulfanyl)ethenyl]-N-oxidohydroxylamine

N-[2,2-bis(methylsulfanyl)ethenyl]-N-oxidohydroxylamine (PubChem CID 163171758) has the molecular formula C4H8NO2S2- and a molecular weight of 166.25 g/mol. Its IUPAC name is N-[2,2-bis(methylsulfanyl)ethenyl]-N-oxidohydroxylamine.

Molecular Properties

Compound NameN-[2,2-bis(methylsulfanyl)ethenyl]-N-oxidohydroxylamine
PubChem CID163171758
Molecular FormulaC4H8NO2S2-
Molecular Weight166.25 g/mol
Exact Mass166.00
IUPAC NameN-[2,2-bis(methylsulfanyl)ethenyl]-N-oxidohydroxylamine
SMILESCSC(=CN([O-])O)SC
InChIInChI=1S/C4H8NO2S2/c1-8-4(9-2)3-5(6)7/h3,6H,1-2H3/q-1
InChIKeyDCAYTCXOPUTPFS-UHFFFAOYSA-N
XLogP1.70
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.25
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2,2-bis(methylsulfanyl)ethenyl]-N-oxidohydroxylamine?
The IUPAC name of N-[2,2-bis(methylsulfanyl)ethenyl]-N-oxidohydroxylamine (CID 163171758) is N-[2,2-bis(methylsulfanyl)ethenyl]-N-oxidohydroxylamine.
What is the SMILES notation for N-[2,2-bis(methylsulfanyl)ethenyl]-N-oxidohydroxylamine?
The canonical SMILES for N-[2,2-bis(methylsulfanyl)ethenyl]-N-oxidohydroxylamine is CSC(=CN([O-])O)SC.
What is the InChIKey of N-[2,2-bis(methylsulfanyl)ethenyl]-N-oxidohydroxylamine?
The InChIKey is DCAYTCXOPUTPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8NO2S2/c1-8-4(9-2)3-5(6)7/h3,6H,1-2H3/q-1.
What are the key properties of N-[2,2-bis(methylsulfanyl)ethenyl]-N-oxidohydroxylamine?
N-[2,2-bis(methylsulfanyl)ethenyl]-N-oxidohydroxylamine has a molecular weight of 166.25 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-bis(methylsulfanyl)ethenyl]-N-oxidohydroxylamine is sourced from PubChem (CID 163171758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).