1-dichlorophosphorylsulfanylhexane

C6H13Cl2OPS — CID 19915290

IUPAC1-dichlorophosphorylsulfanylhexane
SMILESCCCCCCSP(=O)(Cl)Cl
InChIInChI=1S/C6H13Cl2OPS/c1-2-3-4-5-6-11-10(7,8)9/h2-6H2,1H3
InChIKeyOVMXEEAYRHKLGO-UHFFFAOYSA-N
MW235.12 g/mol
LogP4.89
Rot. Bonds6

About 1-dichlorophosphorylsulfanylhexane

1-dichlorophosphorylsulfanylhexane (PubChem CID 19915290) has the molecular formula C6H13Cl2OPS and a molecular weight of 235.12 g/mol. Its IUPAC name is 1-dichlorophosphorylsulfanylhexane.

Molecular Properties

Compound Name1-dichlorophosphorylsulfanylhexane
PubChem CID19915290
Molecular FormulaC6H13Cl2OPS
Molecular Weight235.12 g/mol
Exact Mass233.98
IUPAC Name1-dichlorophosphorylsulfanylhexane
SMILESCCCCCCSP(=O)(Cl)Cl
InChIInChI=1S/C6H13Cl2OPS/c1-2-3-4-5-6-11-10(7,8)9/h2-6H2,1H3
InChIKeyOVMXEEAYRHKLGO-UHFFFAOYSA-N
XLogP4.89
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.12
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

decylsulfanylphosphonic acid
CID 21217457
dichloro-pentylsulfanyl-sulfanylidene-lambda5-phosphane
CID 15833782
1-[chloro(ethyl)phosphoryl]sulfanylbutane
CID 20555802
1-[decylsulfanyl(dodecoxy)phosphoryl]oxydodecane
CID 88718866
1-[decoxy(octylsulfanyl)phosphoryl]oxydecane
CID 88718944
N-[ethyl(pentylsulfanyl)phosphoryl]-N-methylmethanamine
CID 102289077
dihydroxy-sulfanylidene-tetradecylsulfanyl-λ5-phosphane
CID 21217456
butoxy(octylsulfanyl)phosphinic acid;zinc
CID 175444603
1-[butylsulfanyl(hexoxy)phosphoryl]oxyhexane
CID 170848700
copper octylsulfanyl-dioxido-sulfanylidene-λ5-phosphane
CID 141062183
bis(dioxido-sulfanylidene-tridecylsulfanyl-λ5-phosphane);molybdenum(4+)
CID 162208219
bis(1-ethylsulfanyloctane);phosphoric acid
CID 87835003

Frequently Asked Questions

What is the IUPAC name of 1-dichlorophosphorylsulfanylhexane?
The IUPAC name of 1-dichlorophosphorylsulfanylhexane (CID 19915290) is 1-dichlorophosphorylsulfanylhexane.
What is the SMILES notation for 1-dichlorophosphorylsulfanylhexane?
The canonical SMILES for 1-dichlorophosphorylsulfanylhexane is CCCCCCSP(=O)(Cl)Cl.
What is the InChIKey of 1-dichlorophosphorylsulfanylhexane?
The InChIKey is OVMXEEAYRHKLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13Cl2OPS/c1-2-3-4-5-6-11-10(7,8)9/h2-6H2,1H3.
What are the key properties of 1-dichlorophosphorylsulfanylhexane?
1-dichlorophosphorylsulfanylhexane has a molecular weight of 235.12 g/mol, XLogP of 4.89, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dichlorophosphorylsulfanylhexane is sourced from PubChem (CID 19915290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).