[cyano(octylsulfanyl)phosphanyl]formonitrile

C10H17N2PS — CID 140972699

IUPAC[cyano(octylsulfanyl)phosphanyl]formonitrile
SMILESCCCCCCCCSP(C#N)C#N
InChIInChI=1S/C10H17N2PS/c1-2-3-4-5-6-7-8-14-13(9-11)10-12/h2-8H2,1H3
InChIKeyJWGDSZWOPQJJRZ-UHFFFAOYSA-N
MW228.30 g/mol
LogP4.44
Rot. Bonds8

About [cyano(octylsulfanyl)phosphanyl]formonitrile

[cyano(octylsulfanyl)phosphanyl]formonitrile (PubChem CID 140972699) has the molecular formula C10H17N2PS and a molecular weight of 228.30 g/mol. Its IUPAC name is [cyano(octylsulfanyl)phosphanyl]formonitrile.

Molecular Properties

Compound Name[cyano(octylsulfanyl)phosphanyl]formonitrile
PubChem CID140972699
Molecular FormulaC10H17N2PS
Molecular Weight228.30 g/mol
Exact Mass228.09
IUPAC Name[cyano(octylsulfanyl)phosphanyl]formonitrile
SMILESCCCCCCCCSP(C#N)C#N
InChIInChI=1S/C10H17N2PS/c1-2-3-4-5-6-7-8-14-13(9-11)10-12/h2-8H2,1H3
InChIKeyJWGDSZWOPQJJRZ-UHFFFAOYSA-N
XLogP4.44
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dichloro(heptylsulfanyl)phosphane
CID 23280615
2-octylsulfanylacetonitrile
CID 45490133
heptane;hydrate
CID 57468513
9-octylheptadecan-9-yl thiocyanate
CID 57184899
1-hexylsulfanyl-8-pentylsulfanyloctane
CID 167032436
1-hexylsulfanyloctane
CID 15742910
1-octadecylsulfanyloctacosane
CID 87077538
1-nonylsulfanyldodecane
CID 87077738
1-dodecylsulfanylicosane
CID 87077505
1-hexylsulfanyltetradecane
CID 87077491
1-hexylsulfanylicosane
CID 87077585
1-hexylsulfanyloctadecane
CID 21424485

Frequently Asked Questions

What is the IUPAC name of [cyano(octylsulfanyl)phosphanyl]formonitrile?
The IUPAC name of [cyano(octylsulfanyl)phosphanyl]formonitrile (CID 140972699) is [cyano(octylsulfanyl)phosphanyl]formonitrile.
What is the SMILES notation for [cyano(octylsulfanyl)phosphanyl]formonitrile?
The canonical SMILES for [cyano(octylsulfanyl)phosphanyl]formonitrile is CCCCCCCCSP(C#N)C#N.
What is the InChIKey of [cyano(octylsulfanyl)phosphanyl]formonitrile?
The InChIKey is JWGDSZWOPQJJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N2PS/c1-2-3-4-5-6-7-8-14-13(9-11)10-12/h2-8H2,1H3.
What are the key properties of [cyano(octylsulfanyl)phosphanyl]formonitrile?
[cyano(octylsulfanyl)phosphanyl]formonitrile has a molecular weight of 228.30 g/mol, XLogP of 4.44, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [cyano(octylsulfanyl)phosphanyl]formonitrile is sourced from PubChem (CID 140972699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).