hexoxy-propan-2-yloxy-sulfanyl-sulfanylidene-λ5-phosphane

C9H21O2PS2 — CID 151700635

IUPAChexoxy-propan-2-yloxy-sulfanyl-sulfanylidene-λ5-phosphane
SMILESCCCCCCOP(=S)(S)OC(C)C
InChIInChI=1S/C9H21O2PS2/c1-4-5-6-7-8-10-12(13,14)11-9(2)3/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeyREMYUSWELUIICL-UHFFFAOYSA-N
MW256.37 g/mol
LogP4.16
Rot. Bonds8

About hexoxy-propan-2-yloxy-sulfanyl-sulfanylidene-λ5-phosphane

hexoxy-propan-2-yloxy-sulfanyl-sulfanylidene-λ5-phosphane (PubChem CID 151700635) has the molecular formula C9H21O2PS2 and a molecular weight of 256.37 g/mol. Its IUPAC name is hexoxy-propan-2-yloxy-sulfanyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namehexoxy-propan-2-yloxy-sulfanyl-sulfanylidene-λ5-phosphane
PubChem CID151700635
Molecular FormulaC9H21O2PS2
Molecular Weight256.37 g/mol
Exact Mass256.07
IUPAC Namehexoxy-propan-2-yloxy-sulfanyl-sulfanylidene-λ5-phosphane
SMILESCCCCCCOP(=S)(S)OC(C)C
InChIInChI=1S/C9H21O2PS2/c1-4-5-6-7-8-10-12(13,14)11-9(2)3/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeyREMYUSWELUIICL-UHFFFAOYSA-N
XLogP4.16
TPSA18.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

di(nonoxy)-sulfanyl-sulfanylidene-λ5-phosphane
CID 3816158
CID 158562006
CID 158562006
butoxy-octoxy-sulfanyl-sulfanylidene-λ5-phosphane;zinc
CID 174854596
barium(2+);diheptoxy-sulfanyl-sulfanylidene-λ5-phosphane;hydride
CID 174264206
dodecoxy-bis(sulfanyl)-sulfanylidene-λ5-phosphane
CID 21217451
octadecoxy-bis(sulfanyl)-sulfanylidene-λ5-phosphane
CID 21217594
bis[2-(2-octadecoxyethoxy)ethoxy]-sulfanyl-sulfanylidene-λ5-phosphane
CID 21416363
dibutoxy-sulfanyl-sulfanylidene-λ5-phosphane;iron
CID 161397250
CID 156594251
CID 156594251
azane;tripentoxy(sulfanylidene)-λ5-phosphane
CID 88758051
6-[hexadecoxy(hydroxy)phosphoryl]oxyhexyl propan-2-yl hydrogen phosphate
CID 153443822
hexoxy-octoxy-sulfanylidene-sulfido-λ5-phosphane
CID 168851280

Frequently Asked Questions

What is the IUPAC name of hexoxy-propan-2-yloxy-sulfanyl-sulfanylidene-λ5-phosphane?
The IUPAC name of hexoxy-propan-2-yloxy-sulfanyl-sulfanylidene-λ5-phosphane (CID 151700635) is hexoxy-propan-2-yloxy-sulfanyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for hexoxy-propan-2-yloxy-sulfanyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for hexoxy-propan-2-yloxy-sulfanyl-sulfanylidene-λ5-phosphane is CCCCCCOP(=S)(S)OC(C)C.
What is the InChIKey of hexoxy-propan-2-yloxy-sulfanyl-sulfanylidene-λ5-phosphane?
The InChIKey is REMYUSWELUIICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21O2PS2/c1-4-5-6-7-8-10-12(13,14)11-9(2)3/h9H,4-8H2,1-3H3,(H,13,14).
What are the key properties of hexoxy-propan-2-yloxy-sulfanyl-sulfanylidene-λ5-phosphane?
hexoxy-propan-2-yloxy-sulfanyl-sulfanylidene-λ5-phosphane has a molecular weight of 256.37 g/mol, XLogP of 4.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hexoxy-propan-2-yloxy-sulfanyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 151700635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).