dipropoxy-sulfanyl-sulfanylidene-λ5-phosphane;molybdenum;hydrate

C6H17MoO3PS2 — CID 160731909

IUPACdipropoxy-sulfanyl-sulfanylidene-λ5-phosphane;molybdenum;hydrate
SMILESCCCOP(=S)(S)OCCC.O.[Mo]
InChIInChI=1S/C6H15O2PS2.Mo.H2O/c1-3-5-7-9(10,11)8-6-4-2;;/h3-6H2,1-2H3,(H,10,11);;1H2
InChIKeyJAXBXGSELXLUKK-UHFFFAOYSA-N
MW328.25 g/mol
LogP2.17
Rot. Bonds6

About dipropoxy-sulfanyl-sulfanylidene-λ5-phosphane;molybdenum;hydrate

dipropoxy-sulfanyl-sulfanylidene-λ5-phosphane;molybdenum;hydrate (PubChem CID 160731909) has the molecular formula C6H17MoO3PS2 and a molecular weight of 328.25 g/mol. Its IUPAC name is dipropoxy-sulfanyl-sulfanylidene-λ5-phosphane;molybdenum;hydrate.

Molecular Properties

Compound Namedipropoxy-sulfanyl-sulfanylidene-λ5-phosphane;molybdenum;hydrate
PubChem CID160731909
Molecular FormulaC6H17MoO3PS2
Molecular Weight328.25 g/mol
Exact Mass329.94
IUPAC Namedipropoxy-sulfanyl-sulfanylidene-λ5-phosphane;molybdenum;hydrate
SMILESCCCOP(=S)(S)OCCC.O.[Mo]
InChIInChI=1S/C6H15O2PS2.Mo.H2O/c1-3-5-7-9(10,11)8-6-4-2;;/h3-6H2,1-2H3,(H,10,11);;1H2
InChIKeyJAXBXGSELXLUKK-UHFFFAOYSA-N
XLogP2.17
TPSA49.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 52.17
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;sulfane
CID 173229202
dibutoxy-sulfanyl-sulfanylidene-λ5-phosphane;iron
CID 161397250
CID 156594251
CID 156594251
di(nonoxy)-sulfanyl-sulfanylidene-λ5-phosphane
CID 3816158
diethoxy-sulfanyl-sulfanylidene-λ5-phosphane;sulfane
CID 173229302
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;molybdenum;hydrate?
The IUPAC name of dipropoxy-sulfanyl-sulfanylidene-λ5-phosphane;molybdenum;hydrate (CID 160731909) is dipropoxy-sulfanyl-sulfanylidene-λ5-phosphane;molybdenum;hydrate.
What is the SMILES notation for dipropoxy-sulfanyl-sulfanylidene-λ5-phosphane;molybdenum;hydrate?
The canonical SMILES for dipropoxy-sulfanyl-sulfanylidene-λ5-phosphane;molybdenum;hydrate is CCCOP(=S)(S)OCCC.O.[Mo].
What is the InChIKey of dipropoxy-sulfanyl-sulfanylidene-λ5-phosphane;molybdenum;hydrate?
The InChIKey is JAXBXGSELXLUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15O2PS2.Mo.H2O/c1-3-5-7-9(10,11)8-6-4-2;;/h3-6H2,1-2H3,(H,10,11);;1H2.
What are the key properties of dipropoxy-sulfanyl-sulfanylidene-λ5-phosphane;molybdenum;hydrate?
dipropoxy-sulfanyl-sulfanylidene-λ5-phosphane;molybdenum;hydrate has a molecular weight of 328.25 g/mol, XLogP of 2.17, 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;molybdenum;hydrate is sourced from PubChem (CID 160731909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).