[3-(oxolan-2-yl)phenyl] thiohypochlorite

C10H11ClOS — CID 166661504

IUPAC[3-(oxolan-2-yl)phenyl] thiohypochlorite
SMILESClSc1cccc(C2CCCO2)c1
InChIInChI=1S/C10H11ClOS/c11-13-9-4-1-3-8(7-9)10-5-2-6-12-10/h1,3-4,7,10H,2,5-6H2
InChIKeyCOONQXVTIAUGAB-UHFFFAOYSA-N
MW214.72 g/mol
LogP3.78
Rot. Bonds2

About [3-(oxolan-2-yl)phenyl] thiohypochlorite

[3-(oxolan-2-yl)phenyl] thiohypochlorite (PubChem CID 166661504) has the molecular formula C10H11ClOS and a molecular weight of 214.72 g/mol. Its IUPAC name is [3-(oxolan-2-yl)phenyl] thiohypochlorite.

Molecular Properties

Compound Name[3-(oxolan-2-yl)phenyl] thiohypochlorite
PubChem CID166661504
Molecular FormulaC10H11ClOS
Molecular Weight214.72 g/mol
Exact Mass214.02
IUPAC Name[3-(oxolan-2-yl)phenyl] thiohypochlorite
SMILESClSc1cccc(C2CCCO2)c1
InChIInChI=1S/C10H11ClOS/c11-13-9-4-1-3-8(7-9)10-5-2-6-12-10/h1,3-4,7,10H,2,5-6H2
InChIKeyCOONQXVTIAUGAB-UHFFFAOYSA-N
XLogP3.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.72
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2S)-oxolan-2-yl]benzoic acid
CID 99934746
[3-(oxolan-2-yl)phenyl]methanol
CID 23506104
N,N-dimethylmethanamine;2-phenyloxolane
CID 71271242
(2R)-2-(4-chlorophenyl)oxolane
CID 54328866
5-(oxolan-2-yl)-1,3-benzodioxole
CID 10035471
2-anthracen-2-yloxane
CID 91801960
2-fluoro-4-(oxolan-2-yl)pyridine
CID 154715246
2-bromo-4-(oxolan-2-yl)pyridine
CID 66521048
2-(4-chlorophenyl)oxolane;formaldehyde
CID 169170436
2-(3-chlorophenyl)sulfanyloxolane
CID 131089658
2-methoxy-4-(oxolan-2-yl)phenol
CID 70616633
2-[4-(trifluoromethyl)phenyl]oxolane
CID 72665644

Frequently Asked Questions

What is the IUPAC name of [3-(oxolan-2-yl)phenyl] thiohypochlorite?
The IUPAC name of [3-(oxolan-2-yl)phenyl] thiohypochlorite (CID 166661504) is [3-(oxolan-2-yl)phenyl] thiohypochlorite.
What is the SMILES notation for [3-(oxolan-2-yl)phenyl] thiohypochlorite?
The canonical SMILES for [3-(oxolan-2-yl)phenyl] thiohypochlorite is ClSc1cccc(C2CCCO2)c1.
What is the InChIKey of [3-(oxolan-2-yl)phenyl] thiohypochlorite?
The InChIKey is COONQXVTIAUGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClOS/c11-13-9-4-1-3-8(7-9)10-5-2-6-12-10/h1,3-4,7,10H,2,5-6H2.
What are the key properties of [3-(oxolan-2-yl)phenyl] thiohypochlorite?
[3-(oxolan-2-yl)phenyl] thiohypochlorite has a molecular weight of 214.72 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(oxolan-2-yl)phenyl] thiohypochlorite is sourced from PubChem (CID 166661504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).