dihydroxy-sulfanyl-sulfanylidene-λ5-phosphane;octan-3-amine

C8H22NO2PS2 — CID 88665123

IUPACdihydroxy-sulfanyl-sulfanylidene-λ5-phosphane;octan-3-amine
SMILESCCCCCC(N)CC.OP(O)(=S)S
InChIInChI=1S/C8H19N.H3O2PS2/c1-3-5-6-7-8(9)4-2;1-3(2,4)5/h8H,3-7,9H2,1-2H3;(H3,1,2,4,5)
InChIKeyFTRDMDOOZFOQII-UHFFFAOYSA-N
MW259.38 g/mol
LogP2.43
Rot. Bonds5

About dihydroxy-sulfanyl-sulfanylidene-λ5-phosphane;octan-3-amine

dihydroxy-sulfanyl-sulfanylidene-λ5-phosphane;octan-3-amine (PubChem CID 88665123) has the molecular formula C8H22NO2PS2 and a molecular weight of 259.38 g/mol. Its IUPAC name is dihydroxy-sulfanyl-sulfanylidene-λ5-phosphane;octan-3-amine.

Molecular Properties

Compound Namedihydroxy-sulfanyl-sulfanylidene-λ5-phosphane;octan-3-amine
PubChem CID88665123
Molecular FormulaC8H22NO2PS2
Molecular Weight259.38 g/mol
Exact Mass259.08
IUPAC Namedihydroxy-sulfanyl-sulfanylidene-λ5-phosphane;octan-3-amine
SMILESCCCCCC(N)CC.OP(O)(=S)S
InChIInChI=1S/C8H19N.H3O2PS2/c1-3-5-6-7-8(9)4-2;1-3(2,4)5/h8H,3-7,9H2,1-2H3;(H3,1,2,4,5)
InChIKeyFTRDMDOOZFOQII-UHFFFAOYSA-N
XLogP2.43
TPSA66.48 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 52.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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

tridecan-3-amine
CID 19435959
tritriactan-3-amine;hydrochloride
CID 173389490
tetradecan-3-amine;hydrobromide
CID 173393490
acetic acid;decan-3-amine
CID 87798591
acetic acid;henicosan-3-amine
CID 174717408
pentacosan-7-amine
CID 88938409
nonapentacontan-30-amine
CID 118952570
hexadecane-3,5-diamine
CID 175043722
tetradecane-3,11-diamine
CID 170279817
henicosane-8,14-diamine;dihydrochloride
CID 170909168
octadecan-9-amine;hydrochloride
CID 19002510
zinc;dihydroxy-sulfanyl-sulfanylidene-λ5-phosphane;bis(3-methanidylheptane)
CID 87115211

Frequently Asked Questions

What is the IUPAC name of dihydroxy-sulfanyl-sulfanylidene-λ5-phosphane;octan-3-amine?
The IUPAC name of dihydroxy-sulfanyl-sulfanylidene-λ5-phosphane;octan-3-amine (CID 88665123) is dihydroxy-sulfanyl-sulfanylidene-λ5-phosphane;octan-3-amine.
What is the SMILES notation for dihydroxy-sulfanyl-sulfanylidene-λ5-phosphane;octan-3-amine?
The canonical SMILES for dihydroxy-sulfanyl-sulfanylidene-λ5-phosphane;octan-3-amine is CCCCCC(N)CC.OP(O)(=S)S.
What is the InChIKey of dihydroxy-sulfanyl-sulfanylidene-λ5-phosphane;octan-3-amine?
The InChIKey is FTRDMDOOZFOQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N.H3O2PS2/c1-3-5-6-7-8(9)4-2;1-3(2,4)5/h8H,3-7,9H2,1-2H3;(H3,1,2,4,5).
What are the key properties of dihydroxy-sulfanyl-sulfanylidene-λ5-phosphane;octan-3-amine?
dihydroxy-sulfanyl-sulfanylidene-λ5-phosphane;octan-3-amine has a molecular weight of 259.38 g/mol, XLogP of 2.43, 5 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy-sulfanyl-sulfanylidene-λ5-phosphane;octan-3-amine is sourced from PubChem (CID 88665123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).