(2S,3R)-2-chloro-3-ethylsulfanyloxane

C7H13ClOS — CID 130934712

IUPAC(2S,3R)-2-chloro-3-ethylsulfanyloxane
SMILESCCS[C@@H]1CCCO[C@H]1Cl
InChIInChI=1S/C7H13ClOS/c1-2-10-6-4-3-5-9-7(6)8/h6-7H,2-5H2,1H3/t6-,7-/m1/s1
InChIKeyWDZITDRXEGSCNG-RNFRBKRXSA-N
MW180.70 g/mol
LogP2.48
Rot. Bonds2

About (2S,3R)-2-chloro-3-ethylsulfanyloxane

(2S,3R)-2-chloro-3-ethylsulfanyloxane (PubChem CID 130934712) has the molecular formula C7H13ClOS and a molecular weight of 180.70 g/mol. Its IUPAC name is (2S,3R)-2-chloro-3-ethylsulfanyloxane.

Molecular Properties

Compound Name(2S,3R)-2-chloro-3-ethylsulfanyloxane
PubChem CID130934712
Molecular FormulaC7H13ClOS
Molecular Weight180.70 g/mol
Exact Mass180.04
IUPAC Name(2S,3R)-2-chloro-3-ethylsulfanyloxane
SMILESCCS[C@@H]1CCCO[C@H]1Cl
InChIInChI=1S/C7H13ClOS/c1-2-10-6-4-3-5-9-7(6)8/h6-7H,2-5H2,1H3/t6-,7-/m1/s1
InChIKeyWDZITDRXEGSCNG-RNFRBKRXSA-N
XLogP2.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.70
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cis-(1S,2R)-1-chloro-2-ethylsulfanylcyclohexane
CID 130847534
N-(2-ethylsulfanylcyclohexyl)-3-(oxolan-2-yl)propanamide
CID 71861380
N-[(1S,2R)-2-ethylsulfanylcyclohexyl]-3-[(2R)-oxolan-2-yl]propanamide
CID 124860116
2-chlorooxolane;hydrochloride
CID 146484835
(2R)-2-ethyloxolane
CID 641529
3-chloro-2-ethoxyoxane
CID 524402
4-(1,3-dioxolan-2-yl)-N-[(1R,2S)-2-ethylsulfanylcyclohexyl]piperidine-1-carboxamide
CID 129397247
azane;2-ethyloxolane
CID 174465001
N-ethyl-2-(oxolan-2-ylmethylsulfanyl)cyclooctan-1-amine
CID 106496986
ethylsulfanylcycloheptane
CID 67666697
2-ethylsulfanyl-4-methyloxane
CID 123504399
(2R)-2-[(2S)-oxolan-2-yl]butan-2-ol
CID 10012031

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-chloro-3-ethylsulfanyloxane?
The IUPAC name of (2S,3R)-2-chloro-3-ethylsulfanyloxane (CID 130934712) is (2S,3R)-2-chloro-3-ethylsulfanyloxane.
What is the SMILES notation for (2S,3R)-2-chloro-3-ethylsulfanyloxane?
The canonical SMILES for (2S,3R)-2-chloro-3-ethylsulfanyloxane is CCS[C@@H]1CCCO[C@H]1Cl.
What is the InChIKey of (2S,3R)-2-chloro-3-ethylsulfanyloxane?
The InChIKey is WDZITDRXEGSCNG-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H13ClOS/c1-2-10-6-4-3-5-9-7(6)8/h6-7H,2-5H2,1H3/t6-,7-/m1/s1.
What are the key properties of (2S,3R)-2-chloro-3-ethylsulfanyloxane?
(2S,3R)-2-chloro-3-ethylsulfanyloxane has a molecular weight of 180.70 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-chloro-3-ethylsulfanyloxane is sourced from PubChem (CID 130934712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).