3-methylsulfanylpropan-1-amine;hydroiodide

C4H12INS — CID 175673056

IUPAC3-methylsulfanylpropan-1-amine;hydroiodide
SMILESCSCCCN.I
InChIInChI=1S/C4H11NS.HI/c1-6-4-2-3-5;/h2-5H2,1H3;1H
InChIKeyMMIQZKGSWSNCNT-UHFFFAOYSA-N
MW233.12 g/mol
LogP1.32
Rot. Bonds3

About 3-methylsulfanylpropan-1-amine;hydroiodide

3-methylsulfanylpropan-1-amine;hydroiodide (PubChem CID 175673056) has the molecular formula C4H12INS and a molecular weight of 233.12 g/mol. Its IUPAC name is 3-methylsulfanylpropan-1-amine;hydroiodide.

Molecular Properties

Compound Name3-methylsulfanylpropan-1-amine;hydroiodide
PubChem CID175673056
Molecular FormulaC4H12INS
Molecular Weight233.12 g/mol
Exact Mass232.97
IUPAC Name3-methylsulfanylpropan-1-amine;hydroiodide
SMILESCSCCCN.I
InChIInChI=1S/C4H11NS.HI/c1-6-4-2-3-5;/h2-5H2,1H3;1H
InChIKeyMMIQZKGSWSNCNT-UHFFFAOYSA-N
XLogP1.32
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.12
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanylpropan-1-amine;hydroiodide?
The IUPAC name of 3-methylsulfanylpropan-1-amine;hydroiodide (CID 175673056) is 3-methylsulfanylpropan-1-amine;hydroiodide.
What is the SMILES notation for 3-methylsulfanylpropan-1-amine;hydroiodide?
The canonical SMILES for 3-methylsulfanylpropan-1-amine;hydroiodide is CSCCCN.I.
What is the InChIKey of 3-methylsulfanylpropan-1-amine;hydroiodide?
The InChIKey is MMIQZKGSWSNCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NS.HI/c1-6-4-2-3-5;/h2-5H2,1H3;1H.
What are the key properties of 3-methylsulfanylpropan-1-amine;hydroiodide?
3-methylsulfanylpropan-1-amine;hydroiodide has a molecular weight of 233.12 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanylpropan-1-amine;hydroiodide is sourced from PubChem (CID 175673056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).