1-(disulfanyl)-3-iodopropane

C3H7IS2 — CID 118287242

IUPAC1-(disulfanyl)-3-iodopropane
SMILESSSCCCI
InChIInChI=1S/C3H7IS2/c4-2-1-3-6-5/h5H,1-3H2
InChIKeyBJMNVHKTRDJBHH-UHFFFAOYSA-N
MW234.13 g/mol
LogP2.39
Rot. Bonds3

About 1-(disulfanyl)-3-iodopropane

1-(disulfanyl)-3-iodopropane (PubChem CID 118287242) has the molecular formula C3H7IS2 and a molecular weight of 234.13 g/mol. Its IUPAC name is 1-(disulfanyl)-3-iodopropane.

Molecular Properties

Compound Name1-(disulfanyl)-3-iodopropane
PubChem CID118287242
Molecular FormulaC3H7IS2
Molecular Weight234.13 g/mol
Exact Mass233.90
IUPAC Name1-(disulfanyl)-3-iodopropane
SMILESSSCCCI
InChIInChI=1S/C3H7IS2/c4-2-1-3-6-5/h5H,1-3H2
InChIKeyBJMNVHKTRDJBHH-UHFFFAOYSA-N
XLogP2.39
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.13
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(disulfanyl)-3-iodopropane?
The IUPAC name of 1-(disulfanyl)-3-iodopropane (CID 118287242) is 1-(disulfanyl)-3-iodopropane.
What is the SMILES notation for 1-(disulfanyl)-3-iodopropane?
The canonical SMILES for 1-(disulfanyl)-3-iodopropane is SSCCCI.
What is the InChIKey of 1-(disulfanyl)-3-iodopropane?
The InChIKey is BJMNVHKTRDJBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7IS2/c4-2-1-3-6-5/h5H,1-3H2.
What are the key properties of 1-(disulfanyl)-3-iodopropane?
1-(disulfanyl)-3-iodopropane has a molecular weight of 234.13 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(disulfanyl)-3-iodopropane is sourced from PubChem (CID 118287242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).