dichloro-(5-methylhexan-3-ylsulfanyl)-sulfanylidene-λ5-phosphane

C7H15Cl2PS2 — CID 151933603

IUPACdichloro-(5-methylhexan-3-ylsulfanyl)-sulfanylidene-λ5-phosphane
SMILESCCC(CC(C)C)SP(=S)(Cl)Cl
InChIInChI=1S/C7H15Cl2PS2/c1-4-7(5-6(2)3)12-10(8,9)11/h6-7H,4-5H2,1-3H3
InChIKeySZHXDISRRKIXBI-UHFFFAOYSA-N
MW265.21 g/mol
LogP5.25
Rot. Bonds5

About dichloro-(5-methylhexan-3-ylsulfanyl)-sulfanylidene-λ5-phosphane

dichloro-(5-methylhexan-3-ylsulfanyl)-sulfanylidene-λ5-phosphane (PubChem CID 151933603) has the molecular formula C7H15Cl2PS2 and a molecular weight of 265.21 g/mol. Its IUPAC name is dichloro-(5-methylhexan-3-ylsulfanyl)-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namedichloro-(5-methylhexan-3-ylsulfanyl)-sulfanylidene-λ5-phosphane
PubChem CID151933603
Molecular FormulaC7H15Cl2PS2
Molecular Weight265.21 g/mol
Exact Mass263.97
IUPAC Namedichloro-(5-methylhexan-3-ylsulfanyl)-sulfanylidene-λ5-phosphane
SMILESCCC(CC(C)C)SP(=S)(Cl)Cl
InChIInChI=1S/C7H15Cl2PS2/c1-4-7(5-6(2)3)12-10(8,9)11/h6-7H,4-5H2,1-3H3
InChIKeySZHXDISRRKIXBI-UHFFFAOYSA-N
XLogP5.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.21
LogP ≤ 55.25
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

2,6-dimethyl-4-propan-2-ylsulfanylheptane
CID 135274534
propane;2,4,6-trimethylheptane
CID 165013878
dichloro-ethylsulfanyl-sulfanylidene-lambda5-phosphane
CID 519205
2,4,6,8-tetramethyldecane
CID 54224604
N-dichlorophosphinothioylethanamine
CID 14249236
(2S)-N-dihydroxyphosphinothioylbutan-2-amine
CID 88688812
4-ethylhexan-2-ylsulfanyl-dihydroxy-sulfanylidene-λ5-phosphane
CID 175356054
2,6-dimethyl-4-(2-methylpropylsulfanyl)heptane
CID 135274514
(4S)-2,4-dimethylhexane
CID 22810193
2,4-dimethylpentane
CID 157050020
2-methylbutane
CID 158117812
2-methylbutane
CID 159175971

Frequently Asked Questions

What is the IUPAC name of dichloro-(5-methylhexan-3-ylsulfanyl)-sulfanylidene-λ5-phosphane?
The IUPAC name of dichloro-(5-methylhexan-3-ylsulfanyl)-sulfanylidene-λ5-phosphane (CID 151933603) is dichloro-(5-methylhexan-3-ylsulfanyl)-sulfanylidene-λ5-phosphane.
What is the SMILES notation for dichloro-(5-methylhexan-3-ylsulfanyl)-sulfanylidene-λ5-phosphane?
The canonical SMILES for dichloro-(5-methylhexan-3-ylsulfanyl)-sulfanylidene-λ5-phosphane is CCC(CC(C)C)SP(=S)(Cl)Cl.
What is the InChIKey of dichloro-(5-methylhexan-3-ylsulfanyl)-sulfanylidene-λ5-phosphane?
The InChIKey is SZHXDISRRKIXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15Cl2PS2/c1-4-7(5-6(2)3)12-10(8,9)11/h6-7H,4-5H2,1-3H3.
What are the key properties of dichloro-(5-methylhexan-3-ylsulfanyl)-sulfanylidene-λ5-phosphane?
dichloro-(5-methylhexan-3-ylsulfanyl)-sulfanylidene-λ5-phosphane has a molecular weight of 265.21 g/mol, XLogP of 5.25, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-(5-methylhexan-3-ylsulfanyl)-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 151933603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).