(Z)-17-phosphanylheptadec-8-ene-1-thiol

C17H35PS — CID 173394165

IUPAC(Z)-17-phosphanylheptadec-8-ene-1-thiol
SMILESPCCCCCCCC/C=C\CCCCCCCS
InChIInChI=1S/C17H35PS/c18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19/h1,3,19H,2,4-18H2/b3-1-
InChIKeyKKIGKURKQSYLOM-IWQZZHSRSA-N
MW302.51 g/mol
LogP6.42
Rot. Bonds15

About (Z)-17-phosphanylheptadec-8-ene-1-thiol

(Z)-17-phosphanylheptadec-8-ene-1-thiol (PubChem CID 173394165) has the molecular formula C17H35PS and a molecular weight of 302.51 g/mol. Its IUPAC name is (Z)-17-phosphanylheptadec-8-ene-1-thiol.

Molecular Properties

Compound Name(Z)-17-phosphanylheptadec-8-ene-1-thiol
PubChem CID173394165
Molecular FormulaC17H35PS
Molecular Weight302.51 g/mol
Exact Mass302.22
IUPAC Name(Z)-17-phosphanylheptadec-8-ene-1-thiol
SMILESPCCCCCCCC/C=C\CCCCCCCS
InChIInChI=1S/C17H35PS/c18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19/h1,3,19H,2,4-18H2/b3-1-
InChIKeyKKIGKURKQSYLOM-IWQZZHSRSA-N
XLogP6.42
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.51
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-hept-2-ene-1,7-dithiol
CID 151982717
(Z)-hept-2-ene-1,7-dithiol
CID 151982718
hexadec-11-ene-1-thiol
CID 54519203
[(Z)-17-(disulfanyl)heptadec-9-enyl]phosphane
CID 173415159
dec-8-ene-1-thiol
CID 90992267
heptadeca-8,11-diene-1-thiol
CID 76749812
(6Z,11Z)-17-sulfanylheptadeca-6,11-dienoic acid
CID 163386050
(E)-dec-4-ene-1-thiol
CID 101395043
octatriacontane-1,38-dithiol
CID 154319638
tetracosane-1,24-dithiol
CID 87293915
oct-4-ene-1-thiol
CID 90865810
nonane-1,9-dithiol;silver
CID 87575502

Frequently Asked Questions

What is the IUPAC name of (Z)-17-phosphanylheptadec-8-ene-1-thiol?
The IUPAC name of (Z)-17-phosphanylheptadec-8-ene-1-thiol (CID 173394165) is (Z)-17-phosphanylheptadec-8-ene-1-thiol.
What is the SMILES notation for (Z)-17-phosphanylheptadec-8-ene-1-thiol?
The canonical SMILES for (Z)-17-phosphanylheptadec-8-ene-1-thiol is PCCCCCCCC/C=C\CCCCCCCS.
What is the InChIKey of (Z)-17-phosphanylheptadec-8-ene-1-thiol?
The InChIKey is KKIGKURKQSYLOM-IWQZZHSRSA-N. The full InChI is InChI=1S/C17H35PS/c18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19/h1,3,19H,2,4-18H2/b3-1-.
What are the key properties of (Z)-17-phosphanylheptadec-8-ene-1-thiol?
(Z)-17-phosphanylheptadec-8-ene-1-thiol has a molecular weight of 302.51 g/mol, XLogP of 6.42, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-17-phosphanylheptadec-8-ene-1-thiol is sourced from PubChem (CID 173394165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).