3,3-dichloroprop-2-enylsulfanyl-hydroxy-propoxy-sulfanylidene-λ5-phosphane

C6H11Cl2O2PS2 — CID 88653274

IUPAC3,3-dichloroprop-2-enylsulfanyl-hydroxy-propoxy-sulfanylidene-λ5-phosphane
SMILESCCCOP(O)(=S)SCC=C(Cl)Cl
InChIInChI=1S/C6H11Cl2O2PS2/c1-2-4-10-11(9,12)13-5-3-6(7)8/h3H,2,4-5H2,1H3,(H,9,12)
InChIKeySRHOLZFUDREILQ-UHFFFAOYSA-N
MW281.17 g/mol
LogP3.68
Rot. Bonds6

About 3,3-dichloroprop-2-enylsulfanyl-hydroxy-propoxy-sulfanylidene-λ5-phosphane

3,3-dichloroprop-2-enylsulfanyl-hydroxy-propoxy-sulfanylidene-λ5-phosphane (PubChem CID 88653274) has the molecular formula C6H11Cl2O2PS2 and a molecular weight of 281.17 g/mol. Its IUPAC name is 3,3-dichloroprop-2-enylsulfanyl-hydroxy-propoxy-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Name3,3-dichloroprop-2-enylsulfanyl-hydroxy-propoxy-sulfanylidene-λ5-phosphane
PubChem CID88653274
Molecular FormulaC6H11Cl2O2PS2
Molecular Weight281.17 g/mol
Exact Mass279.93
IUPAC Name3,3-dichloroprop-2-enylsulfanyl-hydroxy-propoxy-sulfanylidene-λ5-phosphane
SMILESCCCOP(O)(=S)SCC=C(Cl)Cl
InChIInChI=1S/C6H11Cl2O2PS2/c1-2-4-10-11(9,12)13-5-3-6(7)8/h3H,2,4-5H2,1H3,(H,9,12)
InChIKeySRHOLZFUDREILQ-UHFFFAOYSA-N
XLogP3.68
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.17
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

hydroxy-octylsulfanyl-propoxy-sulfanylidene-λ5-phosphane
CID 174981933
hydroxy-pentoxy-pentylsulfanyl-sulfanylidene-λ5-phosphane;λ2-plumbane
CID 173386502
hydroxy-pentoxy-pentylsulfanyl-sulfanylidene-λ5-phosphane;zinc
CID 87073414
hydroxy-sulfanylidene-triacontoxy-triacontylsulfanyl-λ5-phosphane
CID 161189025
hydroxy-octoxy-octylsulfanyl-sulfanylidene-λ5-phosphane;zinc
CID 87073233
hydroxy-nonoxy-nonylsulfanyl-sulfanylidene-λ5-phosphane;zinc
CID 87073286
CID 88829598
CID 88829598
CID 88829017
CID 88829017
3,3-dichloroprop-2-enyl dihydrogen phosphate
CID 87692157
O-[ethylsulfanyl(hydroxy)phosphinothioyl]hydroxylamine
CID 174299103
dipropoxy-sulfanyl-sulfanylidene-λ5-phosphane;sulfane
CID 173229202
2-ethylsulfanylethoxy-hydroxy-methyl-sulfanylidene-λ5-phosphane
CID 154166943

Frequently Asked Questions

What is the IUPAC name of 3,3-dichloroprop-2-enylsulfanyl-hydroxy-propoxy-sulfanylidene-λ5-phosphane?
The IUPAC name of 3,3-dichloroprop-2-enylsulfanyl-hydroxy-propoxy-sulfanylidene-λ5-phosphane (CID 88653274) is 3,3-dichloroprop-2-enylsulfanyl-hydroxy-propoxy-sulfanylidene-λ5-phosphane.
What is the SMILES notation for 3,3-dichloroprop-2-enylsulfanyl-hydroxy-propoxy-sulfanylidene-λ5-phosphane?
The canonical SMILES for 3,3-dichloroprop-2-enylsulfanyl-hydroxy-propoxy-sulfanylidene-λ5-phosphane is CCCOP(O)(=S)SCC=C(Cl)Cl.
What is the InChIKey of 3,3-dichloroprop-2-enylsulfanyl-hydroxy-propoxy-sulfanylidene-λ5-phosphane?
The InChIKey is SRHOLZFUDREILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11Cl2O2PS2/c1-2-4-10-11(9,12)13-5-3-6(7)8/h3H,2,4-5H2,1H3,(H,9,12).
What are the key properties of 3,3-dichloroprop-2-enylsulfanyl-hydroxy-propoxy-sulfanylidene-λ5-phosphane?
3,3-dichloroprop-2-enylsulfanyl-hydroxy-propoxy-sulfanylidene-λ5-phosphane has a molecular weight of 281.17 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dichloroprop-2-enylsulfanyl-hydroxy-propoxy-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 88653274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).