2-(2-methylsulfanylethyl)-1,3-thiazolidine

C6H13NS2 — CID 22466887

IUPAC2-(2-methylsulfanylethyl)-1,3-thiazolidine
SMILESCSCCC1NCCS1
InChIInChI=1S/C6H13NS2/c1-8-4-2-6-7-3-5-9-6/h6-7H,2-5H2,1H3
InChIKeyCVVYIKYHCHNPTH-UHFFFAOYSA-N
MW163.31 g/mol
LogP1.40
Rot. Bonds3

About 2-(2-methylsulfanylethyl)-1,3-thiazolidine

2-(2-methylsulfanylethyl)-1,3-thiazolidine (PubChem CID 22466887) has the molecular formula C6H13NS2 and a molecular weight of 163.31 g/mol. Its IUPAC name is 2-(2-methylsulfanylethyl)-1,3-thiazolidine.

Molecular Properties

Compound Name2-(2-methylsulfanylethyl)-1,3-thiazolidine
PubChem CID22466887
Molecular FormulaC6H13NS2
Molecular Weight163.31 g/mol
Exact Mass163.05
IUPAC Name2-(2-methylsulfanylethyl)-1,3-thiazolidine
SMILESCSCCC1NCCS1
InChIInChI=1S/C6H13NS2/c1-8-4-2-6-7-3-5-9-6/h6-7H,2-5H2,1H3
InChIKeyCVVYIKYHCHNPTH-UHFFFAOYSA-N
XLogP1.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.31
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylsulfanylethyl)-1,3-thiazinane
CID 66218754
2-(3-methylsulfanylpropyl)-1,3-thiazinane
CID 103090316
2-(1,3-thiazolidin-2-yl)ethanamine
CID 54123437
4-methyl-2-(2-methylsulfanylethyl)-1,3-thiazolidine
CID 66217430
2-[(Z)-but-2-enyl]-1,3-thiazolidine
CID 5352326
2-(1,3-thiazolidin-2-yl)acetaldehyde
CID 21422875
(4S)-2-(2-methylsulfanylethyl)-1,3-thiazolidine-4-carboxylic acid
CID 107774011
2-(2-methylsulfanylethyl)pyrrolidine
CID 81142989
2-nonyl-1,3-thiazinane;hydrochloride
CID 3061409
ethyl 2-[(2S)-1,3-thiazolidin-2-yl]acetate
CID 70429766
2-methylsulfanylethylcyclopropane
CID 23403340
1,3-thiazolidin-2-ylmethyl formate;hydrochloride
CID 174790916

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfanylethyl)-1,3-thiazolidine?
The IUPAC name of 2-(2-methylsulfanylethyl)-1,3-thiazolidine (CID 22466887) is 2-(2-methylsulfanylethyl)-1,3-thiazolidine.
What is the SMILES notation for 2-(2-methylsulfanylethyl)-1,3-thiazolidine?
The canonical SMILES for 2-(2-methylsulfanylethyl)-1,3-thiazolidine is CSCCC1NCCS1.
What is the InChIKey of 2-(2-methylsulfanylethyl)-1,3-thiazolidine?
The InChIKey is CVVYIKYHCHNPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NS2/c1-8-4-2-6-7-3-5-9-6/h6-7H,2-5H2,1H3.
What are the key properties of 2-(2-methylsulfanylethyl)-1,3-thiazolidine?
2-(2-methylsulfanylethyl)-1,3-thiazolidine has a molecular weight of 163.31 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfanylethyl)-1,3-thiazolidine is sourced from PubChem (CID 22466887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).