2-(1,3-thiazolidin-2-ylsulfanyl)-1,3-thiazolidine

C6H12N2S3 — CID 88757972

IUPAC2-(1,3-thiazolidin-2-ylsulfanyl)-1,3-thiazolidine
SMILESC1CSC(SC2NCCS2)N1
InChIInChI=1S/C6H12N2S3/c1-3-9-5(7-1)11-6-8-2-4-10-6/h5-8H,1-4H2
InChIKeyBPMLFAYOUVGZIK-UHFFFAOYSA-N
MW208.38 g/mol
LogP0.96
Rot. Bonds2

About 2-(1,3-thiazolidin-2-ylsulfanyl)-1,3-thiazolidine

2-(1,3-thiazolidin-2-ylsulfanyl)-1,3-thiazolidine (PubChem CID 88757972) has the molecular formula C6H12N2S3 and a molecular weight of 208.38 g/mol. Its IUPAC name is 2-(1,3-thiazolidin-2-ylsulfanyl)-1,3-thiazolidine.

Molecular Properties

Compound Name2-(1,3-thiazolidin-2-ylsulfanyl)-1,3-thiazolidine
PubChem CID88757972
Molecular FormulaC6H12N2S3
Molecular Weight208.38 g/mol
Exact Mass208.02
IUPAC Name2-(1,3-thiazolidin-2-ylsulfanyl)-1,3-thiazolidine
SMILESC1CSC(SC2NCCS2)N1
InChIInChI=1S/C6H12N2S3/c1-3-9-5(7-1)11-6-8-2-4-10-6/h5-8H,1-4H2
InChIKeyBPMLFAYOUVGZIK-UHFFFAOYSA-N
XLogP0.96
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.38
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-thiazolidin-2-yl carbamodithioate
CID 174694956
2-benzylsulfanyl-1,3-thiazolidine
CID 130012438
acetic acid;1,3-thiazolidin-2-yl carbamodithioate
CID 174694955
2-ethenyl-1,3-thiazolidine
CID 90729878
2-(2-methylsulfanylethyl)-1,3-thiazolidine
CID 22466887
molecular hydrogen;2-thia-5-azabicyclo[4.1.0]heptane
CID 145008129
bis(1,3-thiazolidin-2-yl)methanone;iron
CID 175441879
(4aS,7aS)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]thiazine
CID 95358103
2-(1,3-thiazolidin-2-yl)ethanamine
CID 54123437
(1S,2R,3R)-1-[(2R)-1,3-thiazolidin-2-yl]butane-1,2,3,4-tetrol
CID 10398173
(1R,2R,3R)-1-(1,3-thiazolidin-2-yl)butane-1,2,3,4-tetrol
CID 101134454
ethane;1,3-thiazolidine-2-carboxylic acid
CID 144912581

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazolidin-2-ylsulfanyl)-1,3-thiazolidine?
The IUPAC name of 2-(1,3-thiazolidin-2-ylsulfanyl)-1,3-thiazolidine (CID 88757972) is 2-(1,3-thiazolidin-2-ylsulfanyl)-1,3-thiazolidine.
What is the SMILES notation for 2-(1,3-thiazolidin-2-ylsulfanyl)-1,3-thiazolidine?
The canonical SMILES for 2-(1,3-thiazolidin-2-ylsulfanyl)-1,3-thiazolidine is C1CSC(SC2NCCS2)N1.
What is the InChIKey of 2-(1,3-thiazolidin-2-ylsulfanyl)-1,3-thiazolidine?
The InChIKey is BPMLFAYOUVGZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2S3/c1-3-9-5(7-1)11-6-8-2-4-10-6/h5-8H,1-4H2.
What are the key properties of 2-(1,3-thiazolidin-2-ylsulfanyl)-1,3-thiazolidine?
2-(1,3-thiazolidin-2-ylsulfanyl)-1,3-thiazolidine has a molecular weight of 208.38 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazolidin-2-ylsulfanyl)-1,3-thiazolidine is sourced from PubChem (CID 88757972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).