(methyl-methylidene-oxo-λ6-sulfanyl)-methylsulfonylazanide

C3H8NO3S2- — CID 148558031

IUPAC(methyl-methylidene-oxo-λ6-sulfanyl)-methylsulfonylazanide
SMILESC=S(C)(=O)[N-]S(C)(=O)=O
InChIInChI=1S/C3H8NO3S2/c1-8(2,5)4-9(3,6)7/h1H2,2-3H3/q-1
InChIKeyMULHWRVCNIRGLO-UHFFFAOYSA-N
MW170.23 g/mol
LogP-0.42
Rot. Bonds2

About (methyl-methylidene-oxo-λ6-sulfanyl)-methylsulfonylazanide

(methyl-methylidene-oxo-λ6-sulfanyl)-methylsulfonylazanide (PubChem CID 148558031) has the molecular formula C3H8NO3S2- and a molecular weight of 170.23 g/mol. Its IUPAC name is (methyl-methylidene-oxo-λ6-sulfanyl)-methylsulfonylazanide.

Molecular Properties

Compound Name(methyl-methylidene-oxo-λ6-sulfanyl)-methylsulfonylazanide
PubChem CID148558031
Molecular FormulaC3H8NO3S2-
Molecular Weight170.23 g/mol
Exact Mass170.00
IUPAC Name(methyl-methylidene-oxo-λ6-sulfanyl)-methylsulfonylazanide
SMILESC=S(C)(=O)[N-]S(C)(=O)=O
InChIInChI=1S/C3H8NO3S2/c1-8(2,5)4-9(3,6)7/h1H2,2-3H3/q-1
InChIKeyMULHWRVCNIRGLO-UHFFFAOYSA-N
XLogP-0.42
TPSA65.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 5-0.42
H-Bond Donors ≤ 50
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 (methyl-methylidene-oxo-λ6-sulfanyl)-methylsulfonylazanide?
The IUPAC name of (methyl-methylidene-oxo-λ6-sulfanyl)-methylsulfonylazanide (CID 148558031) is (methyl-methylidene-oxo-λ6-sulfanyl)-methylsulfonylazanide.
What is the SMILES notation for (methyl-methylidene-oxo-λ6-sulfanyl)-methylsulfonylazanide?
The canonical SMILES for (methyl-methylidene-oxo-λ6-sulfanyl)-methylsulfonylazanide is C=S(C)(=O)[N-]S(C)(=O)=O.
What is the InChIKey of (methyl-methylidene-oxo-λ6-sulfanyl)-methylsulfonylazanide?
The InChIKey is MULHWRVCNIRGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8NO3S2/c1-8(2,5)4-9(3,6)7/h1H2,2-3H3/q-1.
What are the key properties of (methyl-methylidene-oxo-λ6-sulfanyl)-methylsulfonylazanide?
(methyl-methylidene-oxo-λ6-sulfanyl)-methylsulfonylazanide has a molecular weight of 170.23 g/mol, XLogP of -0.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (methyl-methylidene-oxo-λ6-sulfanyl)-methylsulfonylazanide is sourced from PubChem (CID 148558031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).