di(butan-2-yl)-butoxy-sulfanylidene-λ5-phosphane

C12H27OPS — CID 134995425

IUPACdi(butan-2-yl)-butoxy-sulfanylidene-λ5-phosphane
SMILESCCCCOP(=S)(C(C)CC)C(C)CC
InChIInChI=1S/C12H27OPS/c1-6-9-10-13-14(15,11(4)7-2)12(5)8-3/h11-12H,6-10H2,1-5H3
InChIKeyDOWXTUAZSGMIPJ-UHFFFAOYSA-N
MW250.39 g/mol
LogP4.79
Rot. Bonds8

About di(butan-2-yl)-butoxy-sulfanylidene-λ5-phosphane

di(butan-2-yl)-butoxy-sulfanylidene-λ5-phosphane (PubChem CID 134995425) has the molecular formula C12H27OPS and a molecular weight of 250.39 g/mol. Its IUPAC name is di(butan-2-yl)-butoxy-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namedi(butan-2-yl)-butoxy-sulfanylidene-λ5-phosphane
PubChem CID134995425
Molecular FormulaC12H27OPS
Molecular Weight250.39 g/mol
Exact Mass250.15
IUPAC Namedi(butan-2-yl)-butoxy-sulfanylidene-λ5-phosphane
SMILESCCCCOP(=S)(C(C)CC)C(C)CC
InChIInChI=1S/C12H27OPS/c1-6-9-10-13-14(15,11(4)7-2)12(5)8-3/h11-12H,6-10H2,1-5H3
InChIKeyDOWXTUAZSGMIPJ-UHFFFAOYSA-N
XLogP4.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze di(butan-2-yl)-butoxy-sulfanylidene-λ5-phosphane 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

dibutoxy-sulfanyl-sulfanylidene-λ5-phosphane;iron
CID 161397250
CID 156594251
CID 156594251
bis(dibutoxy-oxido-sulfanylidene-λ5-phosphane);lead(2+)
CID 88816119
1-[butoxy(propan-2-yl)phosphoryl]oxybutane
CID 580343
butoxy-chloro-ethyl-sulfanylidene-λ5-phosphane
CID 23412944
butan-2-yloxy-butoxy-prop-2-enyl-sulfanylidene-λ5-phosphane
CID 54452194
butoxy-octoxy-sulfanyl-sulfanylidene-λ5-phosphane;zinc
CID 174854596
butoxy-butyl-hydroxy-sulfanylidene-λ5-phosphane
CID 88675166
butoxy-ethoxy-hydroxy-sulfanylidene-λ5-phosphane
CID 23335262
dibutyl phosphate;tetramethylphosphanium
CID 87474476
butoxy-hexoxy-hydroxy-sulfanylidene-λ5-phosphane
CID 89235788
dibutoxy-(dibutoxyphosphinothioylsulfanylmethylsulfanyl)-sulfanylidene-lambda5-phosphane
CID 6612212

Frequently Asked Questions

What is the IUPAC name of di(butan-2-yl)-butoxy-sulfanylidene-λ5-phosphane?
The IUPAC name of di(butan-2-yl)-butoxy-sulfanylidene-λ5-phosphane (CID 134995425) is di(butan-2-yl)-butoxy-sulfanylidene-λ5-phosphane.
What is the SMILES notation for di(butan-2-yl)-butoxy-sulfanylidene-λ5-phosphane?
The canonical SMILES for di(butan-2-yl)-butoxy-sulfanylidene-λ5-phosphane is CCCCOP(=S)(C(C)CC)C(C)CC.
What is the InChIKey of di(butan-2-yl)-butoxy-sulfanylidene-λ5-phosphane?
The InChIKey is DOWXTUAZSGMIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27OPS/c1-6-9-10-13-14(15,11(4)7-2)12(5)8-3/h11-12H,6-10H2,1-5H3.
What are the key properties of di(butan-2-yl)-butoxy-sulfanylidene-λ5-phosphane?
di(butan-2-yl)-butoxy-sulfanylidene-λ5-phosphane has a molecular weight of 250.39 g/mol, XLogP of 4.79, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for di(butan-2-yl)-butoxy-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 134995425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).