dibutoxy-sulfanyl-sulfanylidene-λ5-phosphane;iron

C8H19FeO2PS2 — CID 161397250

IUPACdibutoxy-sulfanyl-sulfanylidene-λ5-phosphane;iron
SMILESCCCCOP(=S)(S)OCCCC.[Fe]
InChIInChI=1S/C8H19O2PS2.Fe/c1-3-5-7-9-11(12,13)10-8-6-4-2;/h3-8H2,1-2H3,(H,12,13);
InChIKeyVTTMYBMVWLAWFU-UHFFFAOYSA-N
MW298.19 g/mol
LogP3.77
Rot. Bonds8

About dibutoxy-sulfanyl-sulfanylidene-λ5-phosphane;iron

dibutoxy-sulfanyl-sulfanylidene-λ5-phosphane;iron (PubChem CID 161397250) has the molecular formula C8H19FeO2PS2 and a molecular weight of 298.19 g/mol. Its IUPAC name is dibutoxy-sulfanyl-sulfanylidene-λ5-phosphane;iron.

Molecular Properties

Compound Namedibutoxy-sulfanyl-sulfanylidene-λ5-phosphane;iron
PubChem CID161397250
Molecular FormulaC8H19FeO2PS2
Molecular Weight298.19 g/mol
Exact Mass297.99
IUPAC Namedibutoxy-sulfanyl-sulfanylidene-λ5-phosphane;iron
SMILESCCCCOP(=S)(S)OCCCC.[Fe]
InChIInChI=1S/C8H19O2PS2.Fe/c1-3-5-7-9-11(12,13)10-8-6-4-2;/h3-8H2,1-2H3,(H,12,13);
InChIKeyVTTMYBMVWLAWFU-UHFFFAOYSA-N
XLogP3.77
TPSA18.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.19
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze dibutoxy-sulfanyl-sulfanylidene-λ5-phosphane;iron with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 156594251
CID 156594251
butoxy-octoxy-sulfanyl-sulfanylidene-λ5-phosphane;zinc
CID 174854596
di(nonoxy)-sulfanyl-sulfanylidene-λ5-phosphane
CID 3816158
CID 158562006
CID 158562006
barium(2+);diheptoxy-sulfanyl-sulfanylidene-λ5-phosphane;hydride
CID 174264206
dipropoxy-sulfanyl-sulfanylidene-λ5-phosphane;sulfane
CID 173229202
dipropoxy-sulfanyl-sulfanylidene-λ5-phosphane;molybdenum;hydrate
CID 160731909
octadecoxy-bis(sulfanyl)-sulfanylidene-λ5-phosphane
CID 21217594
dodecoxy-bis(sulfanyl)-sulfanylidene-λ5-phosphane
CID 21217451
bis[2-(2-octadecoxyethoxy)ethoxy]-sulfanyl-sulfanylidene-λ5-phosphane
CID 21416363
hexoxy-propan-2-yloxy-sulfanyl-sulfanylidene-λ5-phosphane
CID 151700635
bis(dibutoxy-oxido-sulfanylidene-λ5-phosphane);lead(2+)
CID 88816119

Frequently Asked Questions

What is the IUPAC name of dibutoxy-sulfanyl-sulfanylidene-λ5-phosphane;iron?
The IUPAC name of dibutoxy-sulfanyl-sulfanylidene-λ5-phosphane;iron (CID 161397250) is dibutoxy-sulfanyl-sulfanylidene-λ5-phosphane;iron.
What is the SMILES notation for dibutoxy-sulfanyl-sulfanylidene-λ5-phosphane;iron?
The canonical SMILES for dibutoxy-sulfanyl-sulfanylidene-λ5-phosphane;iron is CCCCOP(=S)(S)OCCCC.[Fe].
What is the InChIKey of dibutoxy-sulfanyl-sulfanylidene-λ5-phosphane;iron?
The InChIKey is VTTMYBMVWLAWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19O2PS2.Fe/c1-3-5-7-9-11(12,13)10-8-6-4-2;/h3-8H2,1-2H3,(H,12,13);.
What are the key properties of dibutoxy-sulfanyl-sulfanylidene-λ5-phosphane;iron?
dibutoxy-sulfanyl-sulfanylidene-λ5-phosphane;iron has a molecular weight of 298.19 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dibutoxy-sulfanyl-sulfanylidene-λ5-phosphane;iron is sourced from PubChem (CID 161397250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).