2-dichlorophosphorylsulfanylpropane

C3H7Cl2OPS — CID 14350603

IUPAC2-dichlorophosphorylsulfanylpropane
SMILESCC(C)SP(=O)(Cl)Cl
InChIInChI=1S/C3H7Cl2OPS/c1-3(2)8-7(4,5)6/h3H,1-2H3
InChIKeyWIGIUXUKUVWBEW-UHFFFAOYSA-N
MW193.03 g/mol
LogP3.71
Rot. Bonds2

About 2-dichlorophosphorylsulfanylpropane

2-dichlorophosphorylsulfanylpropane (PubChem CID 14350603) has the molecular formula C3H7Cl2OPS and a molecular weight of 193.03 g/mol. Its IUPAC name is 2-dichlorophosphorylsulfanylpropane.

Molecular Properties

Compound Name2-dichlorophosphorylsulfanylpropane
PubChem CID14350603
Molecular FormulaC3H7Cl2OPS
Molecular Weight193.03 g/mol
Exact Mass191.93
IUPAC Name2-dichlorophosphorylsulfanylpropane
SMILESCC(C)SP(=O)(Cl)Cl
InChIInChI=1S/C3H7Cl2OPS/c1-3(2)8-7(4,5)6/h3H,1-2H3
InChIKeyWIGIUXUKUVWBEW-UHFFFAOYSA-N
XLogP3.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.03
LogP ≤ 53.71
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-[chloro(ethyl)phosphoryl]sulfanylpropane
CID 88693178
bis(propan-2-ylsulfanyl)phosphinic acid
CID 12518112
phosphoric acid;2-(propan-2-yldisulfanyl)propane
CID 174843225
(2S)-N-[chloro(methyl)phosphoryl]-3-methylbutan-2-amine
CID 90244124
N-[chloro-(propan-2-ylamino)phosphoryl]propan-2-amine
CID 23416058
(hydroxy-propan-2-ylimino-propan-2-ylsulfanyl-λ5-phosphanyl) dihydrogen phosphate
CID 21113795
2-[propan-2-ylsulfanyl(prop-2-enyl)phosphoryl]oxypropane
CID 88761277
bis(N-methylmethanamine);phosphoryl trichloride
CID 87999351
N-[butan-2-ylsulfanyl(chloro)phosphoryl]-N-methylmethanesulfonamide
CID 54521959
phosphoryl trichloride;sulfane
CID 159768251
propan-2-ylsulfanylmethylphosphonic acid
CID 87564093
N-[chloro(methoxy)phosphoryl]-N-propan-2-ylpropan-2-amine
CID 15098181

Frequently Asked Questions

What is the IUPAC name of 2-dichlorophosphorylsulfanylpropane?
The IUPAC name of 2-dichlorophosphorylsulfanylpropane (CID 14350603) is 2-dichlorophosphorylsulfanylpropane.
What is the SMILES notation for 2-dichlorophosphorylsulfanylpropane?
The canonical SMILES for 2-dichlorophosphorylsulfanylpropane is CC(C)SP(=O)(Cl)Cl.
What is the InChIKey of 2-dichlorophosphorylsulfanylpropane?
The InChIKey is WIGIUXUKUVWBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7Cl2OPS/c1-3(2)8-7(4,5)6/h3H,1-2H3.
What are the key properties of 2-dichlorophosphorylsulfanylpropane?
2-dichlorophosphorylsulfanylpropane has a molecular weight of 193.03 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dichlorophosphorylsulfanylpropane is sourced from PubChem (CID 14350603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).