(5R)-3-ethyl-5-nitroso-2-sulfanylidene-1,3-thiazolidin-4-one

C5H6N2O2S2 — CID 7340125

IUPAC(5R)-3-ethyl-5-nitroso-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCCN1C(=O)[C@H](N=O)SC1=S
InChIInChI=1S/C5H6N2O2S2/c1-2-7-4(8)3(6-9)11-5(7)10/h3H,2H2,1H3/t3-/m1/s1
InChIKeyFEDKTCGNJJOPRO-GSVOUGTGSA-N
MW190.25 g/mol
LogP0.96
Rot. Bonds2

About (5R)-3-ethyl-5-nitroso-2-sulfanylidene-1,3-thiazolidin-4-one

(5R)-3-ethyl-5-nitroso-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 7340125) has the molecular formula C5H6N2O2S2 and a molecular weight of 190.25 g/mol. Its IUPAC name is (5R)-3-ethyl-5-nitroso-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5R)-3-ethyl-5-nitroso-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID7340125
Molecular FormulaC5H6N2O2S2
Molecular Weight190.25 g/mol
Exact Mass189.99
IUPAC Name(5R)-3-ethyl-5-nitroso-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCCN1C(=O)[C@H](N=O)SC1=S
InChIInChI=1S/C5H6N2O2S2/c1-2-7-4(8)3(6-9)11-5(7)10/h3H,2H2,1H3/t3-/m1/s1
InChIKeyFEDKTCGNJJOPRO-GSVOUGTGSA-N
XLogP0.96
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'rhod_sat_A(33)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-ethyl-5-nitroso-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5R)-3-ethyl-5-nitroso-2-sulfanylidene-1,3-thiazolidin-4-one (CID 7340125) is (5R)-3-ethyl-5-nitroso-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5R)-3-ethyl-5-nitroso-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5R)-3-ethyl-5-nitroso-2-sulfanylidene-1,3-thiazolidin-4-one is CCN1C(=O)[C@H](N=O)SC1=S.
What is the InChIKey of (5R)-3-ethyl-5-nitroso-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is FEDKTCGNJJOPRO-GSVOUGTGSA-N. The full InChI is InChI=1S/C5H6N2O2S2/c1-2-7-4(8)3(6-9)11-5(7)10/h3H,2H2,1H3/t3-/m1/s1.
What are the key properties of (5R)-3-ethyl-5-nitroso-2-sulfanylidene-1,3-thiazolidin-4-one?
(5R)-3-ethyl-5-nitroso-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 190.25 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-ethyl-5-nitroso-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 7340125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).