[4-[(Z)-hept-5-enyl]phenyl]phosphinothious acid

C13H19PS — CID 144534534

IUPAC[4-[(Z)-hept-5-enyl]phenyl]phosphinothious acid
SMILESC/C=C\CCCCc1ccc(PS)cc1
InChIInChI=1S/C13H19PS/c1-2-3-4-5-6-7-12-8-10-13(14-15)11-9-12/h2-3,8-11,14-15H,4-7H2,1H3/b3-2-
InChIKeyJYELDLXFTACDMB-IHWYPQMZSA-N
MW238.34 g/mol
LogP4.12
Rot. Bonds6

About [4-[(Z)-hept-5-enyl]phenyl]phosphinothious acid

[4-[(Z)-hept-5-enyl]phenyl]phosphinothious acid (PubChem CID 144534534) has the molecular formula C13H19PS and a molecular weight of 238.34 g/mol. Its IUPAC name is [4-[(Z)-hept-5-enyl]phenyl]phosphinothious acid.

Molecular Properties

Compound Name[4-[(Z)-hept-5-enyl]phenyl]phosphinothious acid
PubChem CID144534534
Molecular FormulaC13H19PS
Molecular Weight238.34 g/mol
Exact Mass238.09
IUPAC Name[4-[(Z)-hept-5-enyl]phenyl]phosphinothious acid
SMILESC/C=C\CCCCc1ccc(PS)cc1
InChIInChI=1S/C13H19PS/c1-2-3-4-5-6-7-12-8-10-13(14-15)11-9-12/h2-3,8-11,14-15H,4-7H2,1H3/b3-2-
InChIKeyJYELDLXFTACDMB-IHWYPQMZSA-N
XLogP4.12
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.34
LogP ≤ 54.12
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

4-hept-5-enylphenol
CID 66787200
[(E)-oct-6-enyl]benzene;prop-1-ene
CID 142802377
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CID 151842838
1-hex-4-enyl-4-phenylbenzene
CID 174423294
1-chloro-4-[4-[(Z)-hex-4-enyl]phenyl]benzene
CID 71056346
2-[[4-[(E)-pentadec-13-enyl]phenoxy]methyl]oxirane
CID 101312987
2-methyl-2-[[4-[(E)-tetradec-12-enyl]phenoxy]methyl]oxirane
CID 101312947
1-pent-3-enyl-4-(4-pent-3-enylphenyl)benzene
CID 76695097
hentriaconta-2,10,29-triene
CID 150025785
bis(dodeca-2,10-diene);methane
CID 159815244
icosa-2,10,18-triene
CID 74063823
1-hex-4-enyl-4-[2-(4-propylphenyl)ethynyl]benzene
CID 139743480

Frequently Asked Questions

What is the IUPAC name of [4-[(Z)-hept-5-enyl]phenyl]phosphinothious acid?
The IUPAC name of [4-[(Z)-hept-5-enyl]phenyl]phosphinothious acid (CID 144534534) is [4-[(Z)-hept-5-enyl]phenyl]phosphinothious acid.
What is the SMILES notation for [4-[(Z)-hept-5-enyl]phenyl]phosphinothious acid?
The canonical SMILES for [4-[(Z)-hept-5-enyl]phenyl]phosphinothious acid is C/C=C\CCCCc1ccc(PS)cc1.
What is the InChIKey of [4-[(Z)-hept-5-enyl]phenyl]phosphinothious acid?
The InChIKey is JYELDLXFTACDMB-IHWYPQMZSA-N. The full InChI is InChI=1S/C13H19PS/c1-2-3-4-5-6-7-12-8-10-13(14-15)11-9-12/h2-3,8-11,14-15H,4-7H2,1H3/b3-2-.
What are the key properties of [4-[(Z)-hept-5-enyl]phenyl]phosphinothious acid?
[4-[(Z)-hept-5-enyl]phenyl]phosphinothious acid has a molecular weight of 238.34 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(Z)-hept-5-enyl]phenyl]phosphinothious acid is sourced from PubChem (CID 144534534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).