dodec-1-ene-1-thione

C12H22S — CID 88799346

IUPACdodec-1-ene-1-thione
SMILESCCCCCCCCCCC=C=S
InChIInChI=1S/C12H22S/c1-2-3-4-5-6-7-8-9-10-11-12-13/h11H,2-10H2,1H3
InChIKeyAZIKBRLYQYUTGE-UHFFFAOYSA-N
MW198.37 g/mol
LogP4.67
Rot. Bonds9

About dodec-1-ene-1-thione

dodec-1-ene-1-thione (PubChem CID 88799346) has the molecular formula C12H22S and a molecular weight of 198.37 g/mol. Its IUPAC name is dodec-1-ene-1-thione.

Molecular Properties

Compound Namedodec-1-ene-1-thione
PubChem CID88799346
Molecular FormulaC12H22S
Molecular Weight198.37 g/mol
Exact Mass198.14
IUPAC Namedodec-1-ene-1-thione
SMILESCCCCCCCCCCC=C=S
InChIInChI=1S/C12H22S/c1-2-3-4-5-6-7-8-9-10-11-12-13/h11H,2-10H2,1H3
InChIKeyAZIKBRLYQYUTGE-UHFFFAOYSA-N
XLogP4.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.37
LogP ≤ 54.67
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'}

Analyze dodec-1-ene-1-thione 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

nonadec-1-ene-1-thione
CID 90728501
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
tetradeca-2,3-dienal
CID 25179784
2,2-dimethyltrideca-3,4-diene
CID 134994881
bis(dec-1-ene);nonadeca-9,10-diene
CID 91436837

Frequently Asked Questions

What is the IUPAC name of dodec-1-ene-1-thione?
The IUPAC name of dodec-1-ene-1-thione (CID 88799346) is dodec-1-ene-1-thione.
What is the SMILES notation for dodec-1-ene-1-thione?
The canonical SMILES for dodec-1-ene-1-thione is CCCCCCCCCCC=C=S.
What is the InChIKey of dodec-1-ene-1-thione?
The InChIKey is AZIKBRLYQYUTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22S/c1-2-3-4-5-6-7-8-9-10-11-12-13/h11H,2-10H2,1H3.
What are the key properties of dodec-1-ene-1-thione?
dodec-1-ene-1-thione has a molecular weight of 198.37 g/mol, XLogP of 4.67, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dodec-1-ene-1-thione is sourced from PubChem (CID 88799346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).