dipropoxy-sulfanyl-sulfanylidene-λ5-phosphane;sulfane

C6H23O2PS6 — CID 173229202

IUPACdipropoxy-sulfanyl-sulfanylidene-λ5-phosphane;sulfane
SMILESCCCOP(=S)(S)OCCC.S.S.S.S
InChIInChI=1S/C6H15O2PS2.4H2S/c1-3-5-7-9(10,11)8-6-4-2;;;;/h3-6H2,1-2H3,(H,10,11);4*1H2
InChIKeyLYJGGCOPKTUYOR-UHFFFAOYSA-N
MW350.62 g/mol
LogP3.45
Rot. Bonds6

About dipropoxy-sulfanyl-sulfanylidene-λ5-phosphane;sulfane

dipropoxy-sulfanyl-sulfanylidene-λ5-phosphane;sulfane (PubChem CID 173229202) has the molecular formula C6H23O2PS6 and a molecular weight of 350.62 g/mol. Its IUPAC name is dipropoxy-sulfanyl-sulfanylidene-λ5-phosphane;sulfane.

Molecular Properties

Compound Namedipropoxy-sulfanyl-sulfanylidene-λ5-phosphane;sulfane
PubChem CID173229202
Molecular FormulaC6H23O2PS6
Molecular Weight350.62 g/mol
Exact Mass349.98
IUPAC Namedipropoxy-sulfanyl-sulfanylidene-λ5-phosphane;sulfane
SMILESCCCOP(=S)(S)OCCC.S.S.S.S
InChIInChI=1S/C6H15O2PS2.4H2S/c1-3-5-7-9(10,11)8-6-4-2;;;;/h3-6H2,1-2H3,(H,10,11);4*1H2
InChIKeyLYJGGCOPKTUYOR-UHFFFAOYSA-N
XLogP3.45
TPSA18.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.62
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dipropoxy-sulfanyl-sulfanylidene-λ5-phosphane;molybdenum;hydrate
CID 160731909
diethoxy-sulfanyl-sulfanylidene-λ5-phosphane;sulfane
CID 173229302
dibutoxy-sulfanyl-sulfanylidene-λ5-phosphane;iron
CID 161397250
CID 156594251
CID 156594251
di(nonoxy)-sulfanyl-sulfanylidene-λ5-phosphane
CID 3816158
CID 156593652
CID 156593652
ethyl-propoxy-sulfanyl-sulfanylidene-λ5-phosphane
CID 154376703
CID 158562006
CID 158562006
barium(2+);diheptoxy-sulfanyl-sulfanylidene-λ5-phosphane;hydride
CID 174264206
butoxy-octoxy-sulfanyl-sulfanylidene-λ5-phosphane;zinc
CID 174854596
bis[2-(2-octadecoxyethoxy)ethoxy]-sulfanyl-sulfanylidene-λ5-phosphane
CID 21416363
bis(2-iodoethoxy)-sulfanyl-sulfanylidene-λ5-phosphane
CID 139619192

Frequently Asked Questions

What is the IUPAC name of dipropoxy-sulfanyl-sulfanylidene-λ5-phosphane;sulfane?
The IUPAC name of dipropoxy-sulfanyl-sulfanylidene-λ5-phosphane;sulfane (CID 173229202) is dipropoxy-sulfanyl-sulfanylidene-λ5-phosphane;sulfane.
What is the SMILES notation for dipropoxy-sulfanyl-sulfanylidene-λ5-phosphane;sulfane?
The canonical SMILES for dipropoxy-sulfanyl-sulfanylidene-λ5-phosphane;sulfane is CCCOP(=S)(S)OCCC.S.S.S.S.
What is the InChIKey of dipropoxy-sulfanyl-sulfanylidene-λ5-phosphane;sulfane?
The InChIKey is LYJGGCOPKTUYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15O2PS2.4H2S/c1-3-5-7-9(10,11)8-6-4-2;;;;/h3-6H2,1-2H3,(H,10,11);4*1H2.
What are the key properties of dipropoxy-sulfanyl-sulfanylidene-λ5-phosphane;sulfane?
dipropoxy-sulfanyl-sulfanylidene-λ5-phosphane;sulfane has a molecular weight of 350.62 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dipropoxy-sulfanyl-sulfanylidene-λ5-phosphane;sulfane is sourced from PubChem (CID 173229202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).