CID 165077464

C12H30I2S-2 — CID 165077464

IUPAC—
SMILESCC[I-](CC)(CC)S[I-](CC)(CC)CC
InChIInChI=1S/C12H30I2S/c1-7-13(8-2,9-3)15-14(10-4,11-5)12-6/h7-12H2,1-6H3/q-2
InChIKeyKUYSUFDKDOPOHN-UHFFFAOYSA-N
MW460.25 g/mol
LogP-2.01
Rot. Bonds8

About CID 165077464

CID 165077464 (PubChem CID 165077464) has the molecular formula C12H30I2S-2 and a molecular weight of 460.25 g/mol.

Molecular Properties

Compound NameCID 165077464
PubChem CID165077464
Molecular FormulaC12H30I2S-2
Molecular Weight460.25 g/mol
Exact Mass460.02
IUPAC Name—
SMILESCC[I-](CC)(CC)S[I-](CC)(CC)CC
InChIInChI=1S/C12H30I2S/c1-7-13(8-2,9-3)15-14(10-4,11-5)12-6/h7-12H2,1-6H3/q-2
InChIKeyKUYSUFDKDOPOHN-UHFFFAOYSA-N
XLogP-2.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.25
LogP ≤ 5-2.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 165077464?
The IUPAC name of CID 165077464 (CID 165077464) is not available.
What is the SMILES notation for CID 165077464?
The canonical SMILES for CID 165077464 is CC[I-](CC)(CC)S[I-](CC)(CC)CC.
What is the InChIKey of CID 165077464?
The InChIKey is KUYSUFDKDOPOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H30I2S/c1-7-13(8-2,9-3)15-14(10-4,11-5)12-6/h7-12H2,1-6H3/q-2.
What are the key properties of CID 165077464?
CID 165077464 has a molecular weight of 460.25 g/mol, XLogP of -2.01, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 165077464 is sourced from PubChem (CID 165077464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).