4,5-dichloro-2-octyl-1,2-thiazolidine

C11H21Cl2NS — CID 19063314

IUPAC4,5-dichloro-2-octyl-1,2-thiazolidine
SMILESCCCCCCCCN1CC(Cl)C(Cl)S1
InChIInChI=1S/C11H21Cl2NS/c1-2-3-4-5-6-7-8-14-9-10(12)11(13)15-14/h10-11H,2-9H2,1H3
InChIKeyJTPICTYDXYAVTH-UHFFFAOYSA-N
MW270.27 g/mol
LogP4.48
Rot. Bonds7

About 4,5-dichloro-2-octyl-1,2-thiazolidine

4,5-dichloro-2-octyl-1,2-thiazolidine (PubChem CID 19063314) has the molecular formula C11H21Cl2NS and a molecular weight of 270.27 g/mol. Its IUPAC name is 4,5-dichloro-2-octyl-1,2-thiazolidine.

Molecular Properties

Compound Name4,5-dichloro-2-octyl-1,2-thiazolidine
PubChem CID19063314
Molecular FormulaC11H21Cl2NS
Molecular Weight270.27 g/mol
Exact Mass269.08
IUPAC Name4,5-dichloro-2-octyl-1,2-thiazolidine
SMILESCCCCCCCCN1CC(Cl)C(Cl)S1
InChIInChI=1S/C11H21Cl2NS/c1-2-3-4-5-6-7-8-14-9-10(12)11(13)15-14/h10-11H,2-9H2,1H3
InChIKeyJTPICTYDXYAVTH-UHFFFAOYSA-N
XLogP4.48
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-heptyl-2-methylaziridine
CID 142378837
5-chloro-2-hexyl-1,2-thiazolidin-3-one
CID 172817803
3-chloro-4-methyl-1-pentylpiperidine
CID 102960020
3-tert-butyl-1-heptylazetidine
CID 157310046
(1-dodecylaziridin-2-yl)methanol
CID 87744504
(3R,4S,5S)-5-chloro-2-(hydroxymethyl)-1-nonylpiperidine-3,4-diol
CID 173327207
4-chloro-1-hexylpyrrolidin-2-one
CID 168687403
4-chloro-3-methyl-1-pentylpiperidine
CID 114682273
2-octyl-1,2-thiazolidin-4-one;hydrochloride
CID 141119725
1-decyl-2,4,5-trimethylpiperazine
CID 3030120
(3S,4S)-1-hexadecylpyrrolidine-3,4-diol
CID 129411144
1-heptylazetidine
CID 134402356

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-octyl-1,2-thiazolidine?
The IUPAC name of 4,5-dichloro-2-octyl-1,2-thiazolidine (CID 19063314) is 4,5-dichloro-2-octyl-1,2-thiazolidine.
What is the SMILES notation for 4,5-dichloro-2-octyl-1,2-thiazolidine?
The canonical SMILES for 4,5-dichloro-2-octyl-1,2-thiazolidine is CCCCCCCCN1CC(Cl)C(Cl)S1.
What is the InChIKey of 4,5-dichloro-2-octyl-1,2-thiazolidine?
The InChIKey is JTPICTYDXYAVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21Cl2NS/c1-2-3-4-5-6-7-8-14-9-10(12)11(13)15-14/h10-11H,2-9H2,1H3.
What are the key properties of 4,5-dichloro-2-octyl-1,2-thiazolidine?
4,5-dichloro-2-octyl-1,2-thiazolidine has a molecular weight of 270.27 g/mol, XLogP of 4.48, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-octyl-1,2-thiazolidine is sourced from PubChem (CID 19063314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).