dibutyl-sulfanyl-sulfanylidene-λ5-phosphane;titanium

C8H19PS2Ti — CID 174932209

IUPACdibutyl-sulfanyl-sulfanylidene-λ5-phosphane;titanium
SMILESCCCCP(=S)(S)CCCC.[Ti]
InChIInChI=1S/C8H19PS2.Ti/c1-3-5-7-9(10,11)8-6-4-2;/h3-8H2,1-2H3,(H,10,11);
InChIKeyVBPCPDLDPFJONR-UHFFFAOYSA-N
MW258.21 g/mol
LogP3.91
Rot. Bonds6

About dibutyl-sulfanyl-sulfanylidene-λ5-phosphane;titanium

dibutyl-sulfanyl-sulfanylidene-λ5-phosphane;titanium (PubChem CID 174932209) has the molecular formula C8H19PS2Ti and a molecular weight of 258.21 g/mol. Its IUPAC name is dibutyl-sulfanyl-sulfanylidene-λ5-phosphane;titanium.

Molecular Properties

Compound Namedibutyl-sulfanyl-sulfanylidene-λ5-phosphane;titanium
PubChem CID174932209
Molecular FormulaC8H19PS2Ti
Molecular Weight258.21 g/mol
Exact Mass258.01
IUPAC Namedibutyl-sulfanyl-sulfanylidene-λ5-phosphane;titanium
SMILESCCCCP(=S)(S)CCCC.[Ti]
InChIInChI=1S/C8H19PS2.Ti/c1-3-5-7-9(10,11)8-6-4-2;/h3-8H2,1-2H3,(H,10,11);
InChIKeyVBPCPDLDPFJONR-UHFFFAOYSA-N
XLogP3.91
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.21
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

sodium dibutyl-oxido-sulfanylidene-λ5-phosphane
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dibutoxy-sulfanyl-sulfanylidene-λ5-phosphane;iron
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CID 156594251
bis(pentane);tris(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 173222128
bis(hexane);tris(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 173222467
di(nonoxy)-sulfanyl-sulfanylidene-λ5-phosphane
CID 3816158
dibutyl-methyl-methylidene-λ5-phosphane
CID 59603144
azane;bis(hexane);bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 174057991
octadecoxy-bis(sulfanyl)-sulfanylidene-λ5-phosphane
CID 21217594
dodecoxy-bis(sulfanyl)-sulfanylidene-λ5-phosphane
CID 21217451
CID 158562006
CID 158562006
dichloro-hexyl-sulfanylidene-lambda5-phosphane
CID 12782644

Frequently Asked Questions

What is the IUPAC name of dibutyl-sulfanyl-sulfanylidene-λ5-phosphane;titanium?
The IUPAC name of dibutyl-sulfanyl-sulfanylidene-λ5-phosphane;titanium (CID 174932209) is dibutyl-sulfanyl-sulfanylidene-λ5-phosphane;titanium.
What is the SMILES notation for dibutyl-sulfanyl-sulfanylidene-λ5-phosphane;titanium?
The canonical SMILES for dibutyl-sulfanyl-sulfanylidene-λ5-phosphane;titanium is CCCCP(=S)(S)CCCC.[Ti].
What is the InChIKey of dibutyl-sulfanyl-sulfanylidene-λ5-phosphane;titanium?
The InChIKey is VBPCPDLDPFJONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19PS2.Ti/c1-3-5-7-9(10,11)8-6-4-2;/h3-8H2,1-2H3,(H,10,11);.
What are the key properties of dibutyl-sulfanyl-sulfanylidene-λ5-phosphane;titanium?
dibutyl-sulfanyl-sulfanylidene-λ5-phosphane;titanium has a molecular weight of 258.21 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl-sulfanyl-sulfanylidene-λ5-phosphane;titanium is sourced from PubChem (CID 174932209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).