2-[chloro(ethyl)phosphoryl]sulfanylpropane

C5H12ClOPS — CID 88693178

IUPAC2-[chloro(ethyl)phosphoryl]sulfanylpropane
SMILESCCP(=O)(Cl)SC(C)C
InChIInChI=1S/C5H12ClOPS/c1-4-8(6,7)9-5(2)3/h5H,4H2,1-3H3
InChIKeyVYIPMYSOISDWEY-UHFFFAOYSA-N
MW186.64 g/mol
LogP3.58
Rot. Bonds3

About 2-[chloro(ethyl)phosphoryl]sulfanylpropane

2-[chloro(ethyl)phosphoryl]sulfanylpropane (PubChem CID 88693178) has the molecular formula C5H12ClOPS and a molecular weight of 186.64 g/mol. Its IUPAC name is 2-[chloro(ethyl)phosphoryl]sulfanylpropane.

Molecular Properties

Compound Name2-[chloro(ethyl)phosphoryl]sulfanylpropane
PubChem CID88693178
Molecular FormulaC5H12ClOPS
Molecular Weight186.64 g/mol
Exact Mass186.00
IUPAC Name2-[chloro(ethyl)phosphoryl]sulfanylpropane
SMILESCCP(=O)(Cl)SC(C)C
InChIInChI=1S/C5H12ClOPS/c1-4-8(6,7)9-5(2)3/h5H,4H2,1-3H3
InChIKeyVYIPMYSOISDWEY-UHFFFAOYSA-N
XLogP3.58
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.64
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-dichlorophosphorylsulfanylpropane
CID 14350603
1-[chloro(ethyl)phosphoryl]sulfanylbutane
CID 20555802
bis(propan-2-ylsulfanyl)phosphinic acid
CID 12518112
2-[chloro(ethyl)phosphoryl]oxybutane
CID 170850887
diethylphosphoryl thiohypochlorite
CID 172690326
(2S)-2-[[(2S)-butan-2-yl]oxy-chlorophosphoryl]oxybutane
CID 129405221
N-[butan-2-ylsulfanyl(chloro)phosphoryl]-N-methylmethanesulfonamide
CID 54521959
2-[chloro(fluoromethoxy)phosphoryl]propane
CID 88777535
dichloro-ethyl-selanylidene-lambda5-phosphane
CID 518992
2-[propan-2-ylsulfanyl(prop-2-enyl)phosphoryl]oxypropane
CID 88761277
1-[chloro(ethoxy)phosphoryl]sulfanyl-3-methylbutane
CID 21430275
phosphoric acid;2-(propan-2-yldisulfanyl)propane
CID 174843225

Frequently Asked Questions

What is the IUPAC name of 2-[chloro(ethyl)phosphoryl]sulfanylpropane?
The IUPAC name of 2-[chloro(ethyl)phosphoryl]sulfanylpropane (CID 88693178) is 2-[chloro(ethyl)phosphoryl]sulfanylpropane.
What is the SMILES notation for 2-[chloro(ethyl)phosphoryl]sulfanylpropane?
The canonical SMILES for 2-[chloro(ethyl)phosphoryl]sulfanylpropane is CCP(=O)(Cl)SC(C)C.
What is the InChIKey of 2-[chloro(ethyl)phosphoryl]sulfanylpropane?
The InChIKey is VYIPMYSOISDWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12ClOPS/c1-4-8(6,7)9-5(2)3/h5H,4H2,1-3H3.
What are the key properties of 2-[chloro(ethyl)phosphoryl]sulfanylpropane?
2-[chloro(ethyl)phosphoryl]sulfanylpropane has a molecular weight of 186.64 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro(ethyl)phosphoryl]sulfanylpropane is sourced from PubChem (CID 88693178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).