4-ethyl-2-(1-methylsulfanylcyclopropyl)-1,3-thiazolidine

C9H17NS2 — CID 130506514

IUPAC4-ethyl-2-(1-methylsulfanylcyclopropyl)-1,3-thiazolidine
SMILESCCC1CSC(C2(SC)CC2)N1
InChIInChI=1S/C9H17NS2/c1-3-7-6-12-8(10-7)9(11-2)4-5-9/h7-8,10H,3-6H2,1-2H3
InChIKeyWWZKEDIUYBYCHK-UHFFFAOYSA-N
MW203.38 g/mol
LogP2.32
Rot. Bonds3

About 4-ethyl-2-(1-methylsulfanylcyclopropyl)-1,3-thiazolidine

4-ethyl-2-(1-methylsulfanylcyclopropyl)-1,3-thiazolidine (PubChem CID 130506514) has the molecular formula C9H17NS2 and a molecular weight of 203.38 g/mol. Its IUPAC name is 4-ethyl-2-(1-methylsulfanylcyclopropyl)-1,3-thiazolidine.

Molecular Properties

Compound Name4-ethyl-2-(1-methylsulfanylcyclopropyl)-1,3-thiazolidine
PubChem CID130506514
Molecular FormulaC9H17NS2
Molecular Weight203.38 g/mol
Exact Mass203.08
IUPAC Name4-ethyl-2-(1-methylsulfanylcyclopropyl)-1,3-thiazolidine
SMILESCCC1CSC(C2(SC)CC2)N1
InChIInChI=1S/C9H17NS2/c1-3-7-6-12-8(10-7)9(11-2)4-5-9/h7-8,10H,3-6H2,1-2H3
InChIKeyWWZKEDIUYBYCHK-UHFFFAOYSA-N
XLogP2.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.38
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(1-methylsulfanylcyclopropyl)-1,3-thiazolidine?
The IUPAC name of 4-ethyl-2-(1-methylsulfanylcyclopropyl)-1,3-thiazolidine (CID 130506514) is 4-ethyl-2-(1-methylsulfanylcyclopropyl)-1,3-thiazolidine.
What is the SMILES notation for 4-ethyl-2-(1-methylsulfanylcyclopropyl)-1,3-thiazolidine?
The canonical SMILES for 4-ethyl-2-(1-methylsulfanylcyclopropyl)-1,3-thiazolidine is CCC1CSC(C2(SC)CC2)N1.
What is the InChIKey of 4-ethyl-2-(1-methylsulfanylcyclopropyl)-1,3-thiazolidine?
The InChIKey is WWZKEDIUYBYCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS2/c1-3-7-6-12-8(10-7)9(11-2)4-5-9/h7-8,10H,3-6H2,1-2H3.
What are the key properties of 4-ethyl-2-(1-methylsulfanylcyclopropyl)-1,3-thiazolidine?
4-ethyl-2-(1-methylsulfanylcyclopropyl)-1,3-thiazolidine has a molecular weight of 203.38 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(1-methylsulfanylcyclopropyl)-1,3-thiazolidine is sourced from PubChem (CID 130506514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).