chlorosulfanyl dimethyl phosphite

C2H6ClO3PS — CID 19885626

IUPACchlorosulfanyl dimethyl phosphite
SMILESCOP(OC)OSCl
InChIInChI=1S/C2H6ClO3PS/c1-4-7(5-2)6-8-3/h1-2H3
InChIKeyDREBFKJFNJXXIZ-UHFFFAOYSA-N
MW176.56 g/mol
LogP2.32
Rot. Bonds4

About chlorosulfanyl dimethyl phosphite

chlorosulfanyl dimethyl phosphite (PubChem CID 19885626) has the molecular formula C2H6ClO3PS and a molecular weight of 176.56 g/mol. Its IUPAC name is chlorosulfanyl dimethyl phosphite.

Molecular Properties

Compound Namechlorosulfanyl dimethyl phosphite
PubChem CID19885626
Molecular FormulaC2H6ClO3PS
Molecular Weight176.56 g/mol
Exact Mass175.95
IUPAC Namechlorosulfanyl dimethyl phosphite
SMILESCOP(OC)OSCl
InChIInChI=1S/C2H6ClO3PS/c1-4-7(5-2)6-8-3/h1-2H3
InChIKeyDREBFKJFNJXXIZ-UHFFFAOYSA-N
XLogP2.32
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.56
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chlorosulfanyl dimethyl phosphite?
The IUPAC name of chlorosulfanyl dimethyl phosphite (CID 19885626) is chlorosulfanyl dimethyl phosphite.
What is the SMILES notation for chlorosulfanyl dimethyl phosphite?
The canonical SMILES for chlorosulfanyl dimethyl phosphite is COP(OC)OSCl.
What is the InChIKey of chlorosulfanyl dimethyl phosphite?
The InChIKey is DREBFKJFNJXXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6ClO3PS/c1-4-7(5-2)6-8-3/h1-2H3.
What are the key properties of chlorosulfanyl dimethyl phosphite?
chlorosulfanyl dimethyl phosphite has a molecular weight of 176.56 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chlorosulfanyl dimethyl phosphite is sourced from PubChem (CID 19885626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).