[hydroxy-oxo-(sulfamoylamino)-λ6-sulfanylidene]methane

CH6N2O4S2 — CID 57211960

IUPAC[hydroxy-oxo-(sulfamoylamino)-λ6-sulfanylidene]methane
SMILESC=S(=O)(O)NS(N)(=O)=O
InChIInChI=1S/CH6N2O4S2/c1-8(4,5)3-9(2,6)7/h1H2,(H2,2,6,7)(H2,3,4,5)
InChIKeyDSYLBWGPCWMMPW-UHFFFAOYSA-N
MW174.20 g/mol
LogP-2.12
Rot. Bonds2

About [hydroxy-oxo-(sulfamoylamino)-λ6-sulfanylidene]methane

[hydroxy-oxo-(sulfamoylamino)-λ6-sulfanylidene]methane (PubChem CID 57211960) has the molecular formula CH6N2O4S2 and a molecular weight of 174.20 g/mol. Its IUPAC name is [hydroxy-oxo-(sulfamoylamino)-λ6-sulfanylidene]methane.

Molecular Properties

Compound Name[hydroxy-oxo-(sulfamoylamino)-λ6-sulfanylidene]methane
PubChem CID57211960
Molecular FormulaCH6N2O4S2
Molecular Weight174.20 g/mol
Exact Mass173.98
IUPAC Name[hydroxy-oxo-(sulfamoylamino)-λ6-sulfanylidene]methane
SMILESC=S(=O)(O)NS(N)(=O)=O
InChIInChI=1S/CH6N2O4S2/c1-8(4,5)3-9(2,6)7/h1H2,(H2,2,6,7)(H2,3,4,5)
InChIKeyDSYLBWGPCWMMPW-UHFFFAOYSA-N
XLogP-2.12
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-2.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [hydroxy-oxo-(sulfamoylamino)-λ6-sulfanylidene]methane?
The IUPAC name of [hydroxy-oxo-(sulfamoylamino)-λ6-sulfanylidene]methane (CID 57211960) is [hydroxy-oxo-(sulfamoylamino)-λ6-sulfanylidene]methane.
What is the SMILES notation for [hydroxy-oxo-(sulfamoylamino)-λ6-sulfanylidene]methane?
The canonical SMILES for [hydroxy-oxo-(sulfamoylamino)-λ6-sulfanylidene]methane is C=S(=O)(O)NS(N)(=O)=O.
What is the InChIKey of [hydroxy-oxo-(sulfamoylamino)-λ6-sulfanylidene]methane?
The InChIKey is DSYLBWGPCWMMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/CH6N2O4S2/c1-8(4,5)3-9(2,6)7/h1H2,(H2,2,6,7)(H2,3,4,5).
What are the key properties of [hydroxy-oxo-(sulfamoylamino)-λ6-sulfanylidene]methane?
[hydroxy-oxo-(sulfamoylamino)-λ6-sulfanylidene]methane has a molecular weight of 174.20 g/mol, XLogP of -2.12, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroxy-oxo-(sulfamoylamino)-λ6-sulfanylidene]methane is sourced from PubChem (CID 57211960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).