ethane;formic acid;3-propan-2-yl-1,3-thiazolidine

C9H21NO2S — CID 169177266

IUPACethane;formic acid;3-propan-2-yl-1,3-thiazolidine
SMILESCC.CC(C)N1CCSC1.O=CO
InChIInChI=1S/C6H13NS.C2H6.CH2O2/c1-6(2)7-3-4-8-5-7;1-2;2-1-3/h6H,3-5H2,1-2H3;1-2H3;1H,(H,2,3)
InChIKeyWDMJVVYHKNUKBV-UHFFFAOYSA-N
MW207.34 g/mol
LogP2.13
Rot. Bonds1

About ethane;formic acid;3-propan-2-yl-1,3-thiazolidine

ethane;formic acid;3-propan-2-yl-1,3-thiazolidine (PubChem CID 169177266) has the molecular formula C9H21NO2S and a molecular weight of 207.34 g/mol. Its IUPAC name is ethane;formic acid;3-propan-2-yl-1,3-thiazolidine.

Molecular Properties

Compound Nameethane;formic acid;3-propan-2-yl-1,3-thiazolidine
PubChem CID169177266
Molecular FormulaC9H21NO2S
Molecular Weight207.34 g/mol
Exact Mass207.13
IUPAC Nameethane;formic acid;3-propan-2-yl-1,3-thiazolidine
SMILESCC.CC(C)N1CCSC1.O=CO
InChIInChI=1S/C6H13NS.C2H6.CH2O2/c1-6(2)7-3-4-8-5-7;1-2;2-1-3/h6H,3-5H2,1-2H3;1-2H3;1H,(H,2,3)
InChIKeyWDMJVVYHKNUKBV-UHFFFAOYSA-N
XLogP2.13
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Ethyl-1,3-thiazolidine;formic acid
CID 169177669

Frequently Asked Questions

What is the IUPAC name of ethane;formic acid;3-propan-2-yl-1,3-thiazolidine?
The IUPAC name of ethane;formic acid;3-propan-2-yl-1,3-thiazolidine (CID 169177266) is ethane;formic acid;3-propan-2-yl-1,3-thiazolidine.
What is the SMILES notation for ethane;formic acid;3-propan-2-yl-1,3-thiazolidine?
The canonical SMILES for ethane;formic acid;3-propan-2-yl-1,3-thiazolidine is CC.CC(C)N1CCSC1.O=CO.
What is the InChIKey of ethane;formic acid;3-propan-2-yl-1,3-thiazolidine?
The InChIKey is WDMJVVYHKNUKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NS.C2H6.CH2O2/c1-6(2)7-3-4-8-5-7;1-2;2-1-3/h6H,3-5H2,1-2H3;1-2H3;1H,(H,2,3).
What are the key properties of ethane;formic acid;3-propan-2-yl-1,3-thiazolidine?
ethane;formic acid;3-propan-2-yl-1,3-thiazolidine has a molecular weight of 207.34 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;formic acid;3-propan-2-yl-1,3-thiazolidine is sourced from PubChem (CID 169177266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).