5-chloro-1,2-thiazolidine

C3H6ClNS — CID 123457705

IUPAC5-chloro-1,2-thiazolidine
SMILESClC1CCNS1
InChIInChI=1S/C3H6ClNS/c4-3-1-2-5-6-3/h3,5H,1-2H2
InChIKeyKYAFMSYXJDCTCE-UHFFFAOYSA-N
MW123.61 g/mol
LogP1.19
Rot. Bonds

About 5-chloro-1,2-thiazolidine

5-chloro-1,2-thiazolidine (PubChem CID 123457705) has the molecular formula C3H6ClNS and a molecular weight of 123.61 g/mol. Its IUPAC name is 5-chloro-1,2-thiazolidine.

Molecular Properties

Compound Name5-chloro-1,2-thiazolidine
PubChem CID123457705
Molecular FormulaC3H6ClNS
Molecular Weight123.61 g/mol
Exact Mass122.99
IUPAC Name5-chloro-1,2-thiazolidine
SMILESClC1CCNS1
InChIInChI=1S/C3H6ClNS/c4-3-1-2-5-6-3/h3,5H,1-2H2
InChIKeyKYAFMSYXJDCTCE-UHFFFAOYSA-N
XLogP1.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.61
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

thiazinane-6-carbonitrile
CID 174957363
2-chlorothiirane
CID 11240430
6-cyclohexylthiazinane;ethane
CID 144883363
6-(4-fluorophenyl)thiazinane
CID 139542054
trans-(2S,8S)-2,8-dimethyl-1,4,7,10,13-pentazacyclopentadecane
CID 14942559
2-methylpiperazine;hydrate
CID 141084178
thiomorpholin-2-yl thiohypochlorite
CID 154410723
4-(3-chlorocyclohexyl)piperidine
CID 118408989
4-chloroazepane
CID 21287479
(2S,5R,8S,11S)-2,5,8,11-tetramethyl-1,4,7,10,13-pentazacyclopentadecane
CID 70323374
2,5-dimethyl-1,4,7-triazonane
CID 66663266
azane;2-methylpiperazine;dihydrochloride
CID 174255785

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,2-thiazolidine?
The IUPAC name of 5-chloro-1,2-thiazolidine (CID 123457705) is 5-chloro-1,2-thiazolidine.
What is the SMILES notation for 5-chloro-1,2-thiazolidine?
The canonical SMILES for 5-chloro-1,2-thiazolidine is ClC1CCNS1.
What is the InChIKey of 5-chloro-1,2-thiazolidine?
The InChIKey is KYAFMSYXJDCTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6ClNS/c4-3-1-2-5-6-3/h3,5H,1-2H2.
What are the key properties of 5-chloro-1,2-thiazolidine?
5-chloro-1,2-thiazolidine has a molecular weight of 123.61 g/mol, XLogP of 1.19, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,2-thiazolidine is sourced from PubChem (CID 123457705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).