[(Z)-17-(disulfanyl)heptadec-9-enyl]phosphane

C17H35PS2 — CID 173415159

IUPAC[(Z)-17-(disulfanyl)heptadec-9-enyl]phosphane
SMILESPCCCCCCCC/C=C\CCCCCCCSS
InChIInChI=1S/C17H35PS2/c18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-20-19/h1,3,19H,2,4-18H2/b3-1-
InChIKeyMPHBFZAIGMMADK-IWQZZHSRSA-N
MW334.58 g/mol
LogP7.07
Rot. Bonds16

About [(Z)-17-(disulfanyl)heptadec-9-enyl]phosphane

[(Z)-17-(disulfanyl)heptadec-9-enyl]phosphane (PubChem CID 173415159) has the molecular formula C17H35PS2 and a molecular weight of 334.58 g/mol. Its IUPAC name is [(Z)-17-(disulfanyl)heptadec-9-enyl]phosphane.

Molecular Properties

Compound Name[(Z)-17-(disulfanyl)heptadec-9-enyl]phosphane
PubChem CID173415159
Molecular FormulaC17H35PS2
Molecular Weight334.58 g/mol
Exact Mass334.19
IUPAC Name[(Z)-17-(disulfanyl)heptadec-9-enyl]phosphane
SMILESPCCCCCCCC/C=C\CCCCCCCSS
InChIInChI=1S/C17H35PS2/c18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-20-19/h1,3,19H,2,4-18H2/b3-1-
InChIKeyMPHBFZAIGMMADK-IWQZZHSRSA-N
XLogP7.07
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.58
LogP ≤ 57.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(Z)-17-(disulfanyl)heptadec-9-enyl]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

(Z)-17-phosphanylheptadec-8-ene-1-thiol
CID 173394165
3-(disulfanyl)propane-1-thiol
CID 101216787
1-(disulfanyl)non-2-ene
CID 173381382
1-(disulfanyl)octane
CID 18332277
icosa-1,9,19-triene
CID 57001912
heptahexaconta-1,23,66-triene
CID 57275880
1-ethylsulfanyloctadec-9-ene
CID 57046814
dodec-2-enylphosphane
CID 123161418
2-[4-(disulfanyl)butylsulfanyl]ethanethiol
CID 150312826
(E)-2,15-dimethylhexadec-8-ene
CID 176630932
(Z)-2,15-dimethylhexadec-8-ene
CID 176630952
hydroxy-octadec-9-enylsulfanyl-sulfanyl-sulfanylidene-λ5-phosphane
CID 57232077

Frequently Asked Questions

What is the IUPAC name of [(Z)-17-(disulfanyl)heptadec-9-enyl]phosphane?
The IUPAC name of [(Z)-17-(disulfanyl)heptadec-9-enyl]phosphane (CID 173415159) is [(Z)-17-(disulfanyl)heptadec-9-enyl]phosphane.
What is the SMILES notation for [(Z)-17-(disulfanyl)heptadec-9-enyl]phosphane?
The canonical SMILES for [(Z)-17-(disulfanyl)heptadec-9-enyl]phosphane is PCCCCCCCC/C=C\CCCCCCCSS.
What is the InChIKey of [(Z)-17-(disulfanyl)heptadec-9-enyl]phosphane?
The InChIKey is MPHBFZAIGMMADK-IWQZZHSRSA-N. The full InChI is InChI=1S/C17H35PS2/c18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-20-19/h1,3,19H,2,4-18H2/b3-1-.
What are the key properties of [(Z)-17-(disulfanyl)heptadec-9-enyl]phosphane?
[(Z)-17-(disulfanyl)heptadec-9-enyl]phosphane has a molecular weight of 334.58 g/mol, XLogP of 7.07, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-17-(disulfanyl)heptadec-9-enyl]phosphane is sourced from PubChem (CID 173415159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).