2-(disulfanyl)-1,3-diiodopropane

C3H6I2S2 — CID 89401999

IUPAC2-(disulfanyl)-1,3-diiodopropane
SMILESSSC(CI)CI
InChIInChI=1S/C3H6I2S2/c4-1-3(2-5)7-6/h3,6H,1-2H2
InChIKeyNFSAOOQIVINIPY-UHFFFAOYSA-N
MW360.02 g/mol
LogP2.80
Rot. Bonds3

About 2-(disulfanyl)-1,3-diiodopropane

2-(disulfanyl)-1,3-diiodopropane (PubChem CID 89401999) has the molecular formula C3H6I2S2 and a molecular weight of 360.02 g/mol. Its IUPAC name is 2-(disulfanyl)-1,3-diiodopropane.

Molecular Properties

Compound Name2-(disulfanyl)-1,3-diiodopropane
PubChem CID89401999
Molecular FormulaC3H6I2S2
Molecular Weight360.02 g/mol
Exact Mass359.80
IUPAC Name2-(disulfanyl)-1,3-diiodopropane
SMILESSSC(CI)CI
InChIInChI=1S/C3H6I2S2/c4-1-3(2-5)7-6/h3,6H,1-2H2
InChIKeyNFSAOOQIVINIPY-UHFFFAOYSA-N
XLogP2.80
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.02
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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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Related Compounds

2-Iodoethyl thiohypoiodite
CID 54072596
3,3,3-Triiodopropane-1-thiol
CID 117833202
1-(Disulfanyl)-3-iodopropane
CID 118287242
CID 118944099
CID 118944099
2-Iodoethylsulfanyl thiohypoiodite
CID 124148863
1-Iodo-1-(iodomethyldisulfanyl)ethane
CID 153522404

Frequently Asked Questions

What is the IUPAC name of 2-(disulfanyl)-1,3-diiodopropane?
The IUPAC name of 2-(disulfanyl)-1,3-diiodopropane (CID 89401999) is 2-(disulfanyl)-1,3-diiodopropane.
What is the SMILES notation for 2-(disulfanyl)-1,3-diiodopropane?
The canonical SMILES for 2-(disulfanyl)-1,3-diiodopropane is SSC(CI)CI.
What is the InChIKey of 2-(disulfanyl)-1,3-diiodopropane?
The InChIKey is NFSAOOQIVINIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6I2S2/c4-1-3(2-5)7-6/h3,6H,1-2H2.
What are the key properties of 2-(disulfanyl)-1,3-diiodopropane?
2-(disulfanyl)-1,3-diiodopropane has a molecular weight of 360.02 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(disulfanyl)-1,3-diiodopropane is sourced from PubChem (CID 89401999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).