3-iodopropyl(dimethyl)sulfanium

C5H12IS+ — CID 86145240

IUPAC3-iodopropyl(dimethyl)sulfanium
SMILESC[S+](C)CCCI
InChIInChI=1S/C5H12IS/c1-7(2)5-3-4-6/h3-5H2,1-2H3/q+1
InChIKeyDQBYPHOPWXVGSH-UHFFFAOYSA-N
MW231.12 g/mol
LogP1.69
Rot. Bonds3

About 3-iodopropyl(dimethyl)sulfanium

3-iodopropyl(dimethyl)sulfanium (PubChem CID 86145240) has the molecular formula C5H12IS+ and a molecular weight of 231.12 g/mol. Its IUPAC name is 3-iodopropyl(dimethyl)sulfanium.

Molecular Properties

Compound Name3-iodopropyl(dimethyl)sulfanium
PubChem CID86145240
Molecular FormulaC5H12IS+
Molecular Weight231.12 g/mol
Exact Mass230.97
IUPAC Name3-iodopropyl(dimethyl)sulfanium
SMILESC[S+](C)CCCI
InChIInChI=1S/C5H12IS/c1-7(2)5-3-4-6/h3-5H2,1-2H3/q+1
InChIKeyDQBYPHOPWXVGSH-UHFFFAOYSA-N
XLogP1.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.12
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

dimethyl(tetradecyl)sulfanium bromide
CID 158828047
dodecyl(dimethyl)sulfanium bromide
CID 24745202
1,11-diiodoundecane
CID 4060847
CID 175765895
CID 175765895
dibutyl-(4-dimethylsulfoniobutyl)-methylazanium dibromide
CID 21150057
1-iodooctane;phosphane
CID 88789975
1-iodotetradecane;phosphane
CID 88696051
3-iodopropan-1-amine
CID 21194665
3-iodo-N,N-dimethylpropan-1-amine;hydrochloride
CID 134304472
4-iodo-N-methylbutan-1-amine
CID 88529413
magnesium;hydride;1-iodooctane
CID 173319827
3-iodo-N-methylpropan-1-amine;hydrochloride
CID 86252305

Frequently Asked Questions

What is the IUPAC name of 3-iodopropyl(dimethyl)sulfanium?
The IUPAC name of 3-iodopropyl(dimethyl)sulfanium (CID 86145240) is 3-iodopropyl(dimethyl)sulfanium.
What is the SMILES notation for 3-iodopropyl(dimethyl)sulfanium?
The canonical SMILES for 3-iodopropyl(dimethyl)sulfanium is C[S+](C)CCCI.
What is the InChIKey of 3-iodopropyl(dimethyl)sulfanium?
The InChIKey is DQBYPHOPWXVGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12IS/c1-7(2)5-3-4-6/h3-5H2,1-2H3/q+1.
What are the key properties of 3-iodopropyl(dimethyl)sulfanium?
3-iodopropyl(dimethyl)sulfanium has a molecular weight of 231.12 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodopropyl(dimethyl)sulfanium is sourced from PubChem (CID 86145240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).