ethyl-propoxy-sulfanyl-sulfanylidene-λ5-phosphane

C5H13OPS2 — CID 154376703

IUPACethyl-propoxy-sulfanyl-sulfanylidene-λ5-phosphane
SMILESCCCOP(=S)(S)CC
InChIInChI=1S/C5H13OPS2/c1-3-5-6-7(8,9)4-2/h3-5H2,1-2H3,(H,8,9)
InChIKeySWQZAAMRLQPVHG-UHFFFAOYSA-N
MW184.27 g/mol
LogP2.67
Rot. Bonds4

About ethyl-propoxy-sulfanyl-sulfanylidene-λ5-phosphane

ethyl-propoxy-sulfanyl-sulfanylidene-λ5-phosphane (PubChem CID 154376703) has the molecular formula C5H13OPS2 and a molecular weight of 184.27 g/mol. Its IUPAC name is ethyl-propoxy-sulfanyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Nameethyl-propoxy-sulfanyl-sulfanylidene-λ5-phosphane
PubChem CID154376703
Molecular FormulaC5H13OPS2
Molecular Weight184.27 g/mol
Exact Mass184.01
IUPAC Nameethyl-propoxy-sulfanyl-sulfanylidene-λ5-phosphane
SMILESCCCOP(=S)(S)CC
InChIInChI=1S/C5H13OPS2/c1-3-5-6-7(8,9)4-2/h3-5H2,1-2H3,(H,8,9)
InChIKeySWQZAAMRLQPVHG-UHFFFAOYSA-N
XLogP2.67
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.27
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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
dipropoxy-sulfanyl-sulfanylidene-λ5-phosphane;molybdenum;hydrate
CID 160731909
dibutoxy-sulfanyl-sulfanylidene-λ5-phosphane;iron
CID 161397250
CID 156594251
CID 156594251
di(nonoxy)-sulfanyl-sulfanylidene-λ5-phosphane
CID 3816158
octadecoxy-bis(sulfanyl)-sulfanylidene-λ5-phosphane
CID 21217594
dodecoxy-bis(sulfanyl)-sulfanylidene-λ5-phosphane
CID 21217451
CID 158562006
CID 158562006
diethoxy-sulfanyl-sulfanylidene-λ5-phosphane;sulfane
CID 173229302
CID 156593652
CID 156593652
butoxy-octoxy-sulfanyl-sulfanylidene-λ5-phosphane;zinc
CID 174854596
barium(2+);diheptoxy-sulfanyl-sulfanylidene-λ5-phosphane;hydride
CID 174264206

Frequently Asked Questions

What is the IUPAC name of ethyl-propoxy-sulfanyl-sulfanylidene-λ5-phosphane?
The IUPAC name of ethyl-propoxy-sulfanyl-sulfanylidene-λ5-phosphane (CID 154376703) is ethyl-propoxy-sulfanyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for ethyl-propoxy-sulfanyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for ethyl-propoxy-sulfanyl-sulfanylidene-λ5-phosphane is CCCOP(=S)(S)CC.
What is the InChIKey of ethyl-propoxy-sulfanyl-sulfanylidene-λ5-phosphane?
The InChIKey is SWQZAAMRLQPVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13OPS2/c1-3-5-6-7(8,9)4-2/h3-5H2,1-2H3,(H,8,9).
What are the key properties of ethyl-propoxy-sulfanyl-sulfanylidene-λ5-phosphane?
ethyl-propoxy-sulfanyl-sulfanylidene-λ5-phosphane has a molecular weight of 184.27 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-propoxy-sulfanyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 154376703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).