1-chloropentyl sulfite

C5H10ClO3S- — CID 174423721

IUPAC1-chloropentyl sulfite
SMILESCCCCC(Cl)OS(=O)[O-]
InChIInChI=1S/C5H11ClO3S/c1-2-3-4-5(6)9-10(7)8/h5H,2-4H2,1H3,(H,7,8)/p-1
InChIKeyOPMMPRTVHDZDGO-UHFFFAOYSA-M
MW185.65 g/mol
LogP1.55
Rot. Bonds5

About 1-chloropentyl sulfite

1-chloropentyl sulfite (PubChem CID 174423721) has the molecular formula C5H10ClO3S- and a molecular weight of 185.65 g/mol. Its IUPAC name is 1-chloropentyl sulfite.

Molecular Properties

Compound Name1-chloropentyl sulfite
PubChem CID174423721
Molecular FormulaC5H10ClO3S-
Molecular Weight185.65 g/mol
Exact Mass185.00
IUPAC Name1-chloropentyl sulfite
SMILESCCCCC(Cl)OS(=O)[O-]
InChIInChI=1S/C5H11ClO3S/c1-2-3-4-5(6)9-10(7)8/h5H,2-4H2,1H3,(H,7,8)/p-1
InChIKeyOPMMPRTVHDZDGO-UHFFFAOYSA-M
XLogP1.55
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.65
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

decan-3-yl sulfite
CID 57298469
1-chloro-1-ethoxypentane
CID 19848155
1-chloro-1-[1-chlorohexyl(sulfinato)amino]hexane
CID 23320298
1-chloro-1-phosphorosooxypentane
CID 174343094
potassium 2-ethylhexyl sulfite
CID 174977915
2-ethylhexyl sulfite;λ2-plumbane
CID 174562769
pentan-3-yl sulfite
CID 57040863
sodium;2-ethylhexyl sulfite;hydride
CID 174362905
2-methylhexane-1-sulfinate
CID 57056486
1-chloropentyl 2-aminoacetate
CID 155272437
bis(1-chloropentyl) dodecanedioate
CID 174646222
2-ethylhexane-1,1-disulfinate
CID 174747144

Frequently Asked Questions

What is the IUPAC name of 1-chloropentyl sulfite?
The IUPAC name of 1-chloropentyl sulfite (CID 174423721) is 1-chloropentyl sulfite.
What is the SMILES notation for 1-chloropentyl sulfite?
The canonical SMILES for 1-chloropentyl sulfite is CCCCC(Cl)OS(=O)[O-].
What is the InChIKey of 1-chloropentyl sulfite?
The InChIKey is OPMMPRTVHDZDGO-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H11ClO3S/c1-2-3-4-5(6)9-10(7)8/h5H,2-4H2,1H3,(H,7,8)/p-1.
What are the key properties of 1-chloropentyl sulfite?
1-chloropentyl sulfite has a molecular weight of 185.65 g/mol, XLogP of 1.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloropentyl sulfite is sourced from PubChem (CID 174423721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).