2-benzylsulfanyl-1,3-thiazolidine

C10H13NS2 — CID 130012438

IUPAC2-benzylsulfanyl-1,3-thiazolidine
SMILESc1ccc(CSC2NCCS2)cc1
InChIInChI=1S/C10H13NS2/c1-2-4-9(5-3-1)8-13-10-11-6-7-12-10/h1-5,10-11H,6-8H2
InChIKeyXPOCDKXRYWYVKD-UHFFFAOYSA-N
MW211.36 g/mol
LogP2.54
Rot. Bonds3

About 2-benzylsulfanyl-1,3-thiazolidine

2-benzylsulfanyl-1,3-thiazolidine (PubChem CID 130012438) has the molecular formula C10H13NS2 and a molecular weight of 211.36 g/mol. Its IUPAC name is 2-benzylsulfanyl-1,3-thiazolidine.

Molecular Properties

Compound Name2-benzylsulfanyl-1,3-thiazolidine
PubChem CID130012438
Molecular FormulaC10H13NS2
Molecular Weight211.36 g/mol
Exact Mass211.05
IUPAC Name2-benzylsulfanyl-1,3-thiazolidine
SMILESc1ccc(CSC2NCCS2)cc1
InChIInChI=1S/C10H13NS2/c1-2-4-9(5-3-1)8-13-10-11-6-7-12-10/h1-5,10-11H,6-8H2
InChIKeyXPOCDKXRYWYVKD-UHFFFAOYSA-N
XLogP2.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(2S)-1,3-thiazolidin-2-yl]sulfanylmethyl]-1-benzofuran-2-carboxylic acid
CID 2393683
cyclopropylsulfanylmethylbenzene
CID 12820210
2-(benzylsulfanylmethyl)azetidine
CID 115070954
4-benzylsulfanylazetidine-2-carbaldehyde
CID 174385800
4-benzylsulfanyloxane
CID 53484657
2,3-diphenylthiomorpholine
CID 13166168
(2R)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidine
CID 93068855
trans-(1R,2R)-2-benzylsulfanylcyclopentan-1-ol
CID 14194460
benzylsulfanylmethylbenzene;1,1'-biphenyl
CID 66703910
(4S)-4-benzylsulfanylcyclopent-2-en-1-one
CID 101352200
cyclohex-2-en-1-ylsulfanylmethylbenzene
CID 13380558
phenyl(1,3-thiazolidin-2-yl)methanone;hydrochloride
CID 138398651

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-1,3-thiazolidine?
The IUPAC name of 2-benzylsulfanyl-1,3-thiazolidine (CID 130012438) is 2-benzylsulfanyl-1,3-thiazolidine.
What is the SMILES notation for 2-benzylsulfanyl-1,3-thiazolidine?
The canonical SMILES for 2-benzylsulfanyl-1,3-thiazolidine is c1ccc(CSC2NCCS2)cc1.
What is the InChIKey of 2-benzylsulfanyl-1,3-thiazolidine?
The InChIKey is XPOCDKXRYWYVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NS2/c1-2-4-9(5-3-1)8-13-10-11-6-7-12-10/h1-5,10-11H,6-8H2.
What are the key properties of 2-benzylsulfanyl-1,3-thiazolidine?
2-benzylsulfanyl-1,3-thiazolidine has a molecular weight of 211.36 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-1,3-thiazolidine is sourced from PubChem (CID 130012438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).