1-chlorosulfinyloxypropane

C3H7ClO2S — CID 10313192

IUPAC1-chlorosulfinyloxypropane
SMILESCCCOS(=O)Cl
InChIInChI=1S/C3H7ClO2S/c1-2-3-6-7(4)5/h2-3H2,1H3
InChIKeyXHPBLHAZMLPNTF-UHFFFAOYSA-N
MW142.61 g/mol
LogP1.23
Rot. Bonds3

About 1-chlorosulfinyloxypropane

1-chlorosulfinyloxypropane (PubChem CID 10313192) has the molecular formula C3H7ClO2S and a molecular weight of 142.61 g/mol. Its IUPAC name is 1-chlorosulfinyloxypropane.

Molecular Properties

Compound Name1-chlorosulfinyloxypropane
PubChem CID10313192
Molecular FormulaC3H7ClO2S
Molecular Weight142.61 g/mol
Exact Mass141.99
IUPAC Name1-chlorosulfinyloxypropane
SMILESCCCOS(=O)Cl
InChIInChI=1S/C3H7ClO2S/c1-2-3-6-7(4)5/h2-3H2,1H3
InChIKeyXHPBLHAZMLPNTF-UHFFFAOYSA-N
XLogP1.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.61
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-chlorosulfinyloxypropane?
The IUPAC name of 1-chlorosulfinyloxypropane (CID 10313192) is 1-chlorosulfinyloxypropane.
What is the SMILES notation for 1-chlorosulfinyloxypropane?
The canonical SMILES for 1-chlorosulfinyloxypropane is CCCOS(=O)Cl.
What is the InChIKey of 1-chlorosulfinyloxypropane?
The InChIKey is XHPBLHAZMLPNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7ClO2S/c1-2-3-6-7(4)5/h2-3H2,1H3.
What are the key properties of 1-chlorosulfinyloxypropane?
1-chlorosulfinyloxypropane has a molecular weight of 142.61 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chlorosulfinyloxypropane is sourced from PubChem (CID 10313192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).