17-iodoheptadecane-1-thiol

C17H35IS — CID 87685972

IUPAC17-iodoheptadecane-1-thiol
SMILESSCCCCCCCCCCCCCCCCCI
InChIInChI=1S/C17H35IS/c18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19/h19H,1-17H2
InChIKeyJYFQPUFSEYEALA-UHFFFAOYSA-N
MW398.44 g/mol
LogP7.20
Rot. Bonds16

About 17-iodoheptadecane-1-thiol

17-iodoheptadecane-1-thiol (PubChem CID 87685972) has the molecular formula C17H35IS and a molecular weight of 398.44 g/mol. Its IUPAC name is 17-iodoheptadecane-1-thiol.

Molecular Properties

Compound Name17-iodoheptadecane-1-thiol
PubChem CID87685972
Molecular FormulaC17H35IS
Molecular Weight398.44 g/mol
Exact Mass398.15
IUPAC Name17-iodoheptadecane-1-thiol
SMILESSCCCCCCCCCCCCCCCCCI
InChIInChI=1S/C17H35IS/c18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19/h19H,1-17H2
InChIKeyJYFQPUFSEYEALA-UHFFFAOYSA-N
XLogP7.20
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.44
LogP ≤ 57.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1,11-diiodoundecane
CID 4060847
octatriacontane-1,38-dithiol
CID 154319638
tetracosane-1,24-dithiol
CID 87293915
nonane-1,9-dithiol;silver
CID 87575502
5-iodo-N,N-dimethylpentan-1-amine
CID 139910591
17-iodo-N,N-dimethylheptadecan-1-amine
CID 171063182
dodecane-1-thiol
CID 8195
decane-1-thiol
CID 8917
34-chlorotetratriacontane-1-thiol
CID 87684163
17-chloroheptadecane-1-thiol
CID 87681606
CID 175765895
CID 175765895
1-bromo-7-iodoheptane
CID 57289617

Frequently Asked Questions

What is the IUPAC name of 17-iodoheptadecane-1-thiol?
The IUPAC name of 17-iodoheptadecane-1-thiol (CID 87685972) is 17-iodoheptadecane-1-thiol.
What is the SMILES notation for 17-iodoheptadecane-1-thiol?
The canonical SMILES for 17-iodoheptadecane-1-thiol is SCCCCCCCCCCCCCCCCCI.
What is the InChIKey of 17-iodoheptadecane-1-thiol?
The InChIKey is JYFQPUFSEYEALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35IS/c18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19/h19H,1-17H2.
What are the key properties of 17-iodoheptadecane-1-thiol?
17-iodoheptadecane-1-thiol has a molecular weight of 398.44 g/mol, XLogP of 7.20, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 17-iodoheptadecane-1-thiol is sourced from PubChem (CID 87685972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).