nonadec-1-ene-1-thione

C19H36S — CID 90728501

IUPACnonadec-1-ene-1-thione
SMILESCCCCCCCCCCCCCCCCCC=C=S
InChIInChI=1S/C19H36S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20/h18H,2-17H2,1H3
InChIKeyHWYQYHMBWIALFM-UHFFFAOYSA-N
MW296.56 g/mol
LogP7.40
Rot. Bonds16

About nonadec-1-ene-1-thione

nonadec-1-ene-1-thione (PubChem CID 90728501) has the molecular formula C19H36S and a molecular weight of 296.56 g/mol. Its IUPAC name is nonadec-1-ene-1-thione.

Molecular Properties

Compound Namenonadec-1-ene-1-thione
PubChem CID90728501
Molecular FormulaC19H36S
Molecular Weight296.56 g/mol
Exact Mass296.25
IUPAC Namenonadec-1-ene-1-thione
SMILESCCCCCCCCCCCCCCCCCC=C=S
InChIInChI=1S/C19H36S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20/h18H,2-17H2,1H3
InChIKeyHWYQYHMBWIALFM-UHFFFAOYSA-N
XLogP7.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.56
LogP ≤ 57.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

dodec-1-ene-1-thione
CID 88799346
pentacosa-12,13-diene
CID 174365678
octadeca-5,6-diene
CID 141110817
pentacosa-1,2-diene
CID 91256364
docosa-1,2-diene
CID 90871698
dodeca-3,4-diene
CID 91492112
octacosanethial
CID 54432815
octadeca-2,3-dien-1-ol
CID 138969077
dodeca-2,3-dienal
CID 11810769
2,2-dimethyltrideca-3,4-diene
CID 134994881
bis(dec-1-ene);nonadeca-9,10-diene
CID 91436837
tetradeca-2,3-dienal
CID 25179784

Frequently Asked Questions

What is the IUPAC name of nonadec-1-ene-1-thione?
The IUPAC name of nonadec-1-ene-1-thione (CID 90728501) is nonadec-1-ene-1-thione.
What is the SMILES notation for nonadec-1-ene-1-thione?
The canonical SMILES for nonadec-1-ene-1-thione is CCCCCCCCCCCCCCCCCC=C=S.
What is the InChIKey of nonadec-1-ene-1-thione?
The InChIKey is HWYQYHMBWIALFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20/h18H,2-17H2,1H3.
What are the key properties of nonadec-1-ene-1-thione?
nonadec-1-ene-1-thione has a molecular weight of 296.56 g/mol, XLogP of 7.40, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for nonadec-1-ene-1-thione is sourced from PubChem (CID 90728501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).