ethyl 2-(2-sulfanylidene-3H-1,3-thiazol-4-yl)acetate;methane

C8H13NO2S2 — CID 158568060

IUPACethyl 2-(2-sulfanylidene-3H-1,3-thiazol-4-yl)acetate;methane
SMILESC.CCOC(=O)Cc1csc(=S)[nH]1
InChIInChI=1S/C7H9NO2S2.CH4/c1-2-10-6(9)3-5-4-12-7(11)8-5;/h4H,2-3H2,1H3,(H,8,11);1H4
InChIKeyHRSOOMYYHKLJFC-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.55
Rot. Bonds3

About ethyl 2-(2-sulfanylidene-3H-1,3-thiazol-4-yl)acetate;methane

ethyl 2-(2-sulfanylidene-3H-1,3-thiazol-4-yl)acetate;methane (PubChem CID 158568060) has the molecular formula C8H13NO2S2 and a molecular weight of 219.33 g/mol. Its IUPAC name is ethyl 2-(2-sulfanylidene-3H-1,3-thiazol-4-yl)acetate;methane.

Molecular Properties

Compound Nameethyl 2-(2-sulfanylidene-3H-1,3-thiazol-4-yl)acetate;methane
PubChem CID158568060
Molecular FormulaC8H13NO2S2
Molecular Weight219.33 g/mol
Exact Mass219.04
IUPAC Nameethyl 2-(2-sulfanylidene-3H-1,3-thiazol-4-yl)acetate;methane
SMILESC.CCOC(=O)Cc1csc(=S)[nH]1
InChIInChI=1S/C7H9NO2S2.CH4/c1-2-10-6(9)3-5-4-12-7(11)8-5;/h4H,2-3H2,1H3,(H,8,11);1H4
InChIKeyHRSOOMYYHKLJFC-UHFFFAOYSA-N
XLogP2.55
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 2-(2-sulfanylidene-3H-1,3-thiazol-4-yl)acetate;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-sulfanylidene-3H-1,3-thiazol-4-yl)acetate;methane?
The IUPAC name of ethyl 2-(2-sulfanylidene-3H-1,3-thiazol-4-yl)acetate;methane (CID 158568060) is ethyl 2-(2-sulfanylidene-3H-1,3-thiazol-4-yl)acetate;methane.
What is the SMILES notation for ethyl 2-(2-sulfanylidene-3H-1,3-thiazol-4-yl)acetate;methane?
The canonical SMILES for ethyl 2-(2-sulfanylidene-3H-1,3-thiazol-4-yl)acetate;methane is C.CCOC(=O)Cc1csc(=S)[nH]1.
What is the InChIKey of ethyl 2-(2-sulfanylidene-3H-1,3-thiazol-4-yl)acetate;methane?
The InChIKey is HRSOOMYYHKLJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2S2.CH4/c1-2-10-6(9)3-5-4-12-7(11)8-5;/h4H,2-3H2,1H3,(H,8,11);1H4.
What are the key properties of ethyl 2-(2-sulfanylidene-3H-1,3-thiazol-4-yl)acetate;methane?
ethyl 2-(2-sulfanylidene-3H-1,3-thiazol-4-yl)acetate;methane has a molecular weight of 219.33 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-sulfanylidene-3H-1,3-thiazol-4-yl)acetate;methane is sourced from PubChem (CID 158568060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).