N-methoxysulfanyl-N-sulfanylformamide

C2H5NO2S2 — CID 21160046

IUPACN-methoxysulfanyl-N-sulfanylformamide
SMILESCOSN(S)C=O
InChIInChI=1S/C2H5NO2S2/c1-5-7-3(6)2-4/h2,6H,1H3
InChIKeyJEOLGRFGJNEGRR-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.50
Rot. Bonds3

About N-methoxysulfanyl-N-sulfanylformamide

N-methoxysulfanyl-N-sulfanylformamide (PubChem CID 21160046) has the molecular formula C2H5NO2S2 and a molecular weight of 139.20 g/mol. Its IUPAC name is N-methoxysulfanyl-N-sulfanylformamide.

Molecular Properties

Compound NameN-methoxysulfanyl-N-sulfanylformamide
PubChem CID21160046
Molecular FormulaC2H5NO2S2
Molecular Weight139.20 g/mol
Exact Mass138.98
IUPAC NameN-methoxysulfanyl-N-sulfanylformamide
SMILESCOSN(S)C=O
InChIInChI=1S/C2H5NO2S2/c1-5-7-3(6)2-4/h2,6H,1H3
InChIKeyJEOLGRFGJNEGRR-UHFFFAOYSA-N
XLogP0.50
TPSA29.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-sulfanylformamide chloride
CID 23317739
methoxysulfanyl(methyl)carbamic acid
CID 56630167
N,N-dimethylthiohydroxylamine;methoxysilane
CID 174748218
N,N-dimethylformamide;methanethiol
CID 86741828
calcium;N,N-dimethylformamide;hydride;hydrate
CID 175068153
N,N-dimethylformamide;methylsulfanylmethane
CID 158808099
CID 159352431
CID 159352431
(dimethoxyamino)-oxoazanium
CID 123457141
dimethylamino formate;zinc
CID 174400064
N-methyl-N-(2-sulfanylethyl)formamide
CID 139923648
N,N-dimethylformamide;molecular chlorine
CID 86751989
methane;methyl formate
CID 162150401

Frequently Asked Questions

What is the IUPAC name of N-methoxysulfanyl-N-sulfanylformamide?
The IUPAC name of N-methoxysulfanyl-N-sulfanylformamide (CID 21160046) is N-methoxysulfanyl-N-sulfanylformamide.
What is the SMILES notation for N-methoxysulfanyl-N-sulfanylformamide?
The canonical SMILES for N-methoxysulfanyl-N-sulfanylformamide is COSN(S)C=O.
What is the InChIKey of N-methoxysulfanyl-N-sulfanylformamide?
The InChIKey is JEOLGRFGJNEGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5NO2S2/c1-5-7-3(6)2-4/h2,6H,1H3.
What are the key properties of N-methoxysulfanyl-N-sulfanylformamide?
N-methoxysulfanyl-N-sulfanylformamide has a molecular weight of 139.20 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxysulfanyl-N-sulfanylformamide is sourced from PubChem (CID 21160046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).