1-iodo-1-methylthiolane

C5H11IS — CID 548240

IUPAC1-iodo-1-methylthiolane
SMILESCS1(I)CCCC1
InChIInChI=1S/C5H11IS/c1-7(6)4-2-3-5-7/h2-5H2,1H3
InChIKeyZLWGNHDBDXJTQR-UHFFFAOYSA-N
MW230.11 g/mol
LogP2.56
Rot. Bonds

About 1-iodo-1-methylthiolane

1-iodo-1-methylthiolane (PubChem CID 548240) has the molecular formula C5H11IS and a molecular weight of 230.11 g/mol. Its IUPAC name is 1-iodo-1-methylthiolane.

Molecular Properties

Compound Name1-iodo-1-methylthiolane
PubChem CID548240
Molecular FormulaC5H11IS
Molecular Weight230.11 g/mol
Exact Mass229.96
IUPAC Name1-iodo-1-methylthiolane
SMILESCS1(I)CCCC1
InChIInChI=1S/C5H11IS/c1-7(6)4-2-3-5-7/h2-5H2,1H3
InChIKeyZLWGNHDBDXJTQR-UHFFFAOYSA-N
XLogP2.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.11
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Tetrahydrothiophene
CID 1127
Propyl sulfide
CID 8118
Ethyl propyl sulfide
CID 20063
3,5-Diethyl-1,2,4-trithiolane
CID 520895
Butyl ethyl sulfide
CID 12528
2,5-Dimethyltetrahydrothiophene
CID 15247
3,5-Diethyl-1,2,4-trithiolane, (Z)-
CID 6431294
2,2,4-Trimethyl-1,3-dithiolane
CID 22148
1,3-Dithiolane, 2-ethyl-2-methyl-
CID 22333
2-Methyltetrahydrothiophene
CID 15711
Isopropyl propyl sulfide
CID 78708
2-(Ethylthio)butane
CID 521270

Frequently Asked Questions

What is the IUPAC name of 1-iodo-1-methylthiolane?
The IUPAC name of 1-iodo-1-methylthiolane (CID 548240) is 1-iodo-1-methylthiolane.
What is the SMILES notation for 1-iodo-1-methylthiolane?
The canonical SMILES for 1-iodo-1-methylthiolane is CS1(I)CCCC1.
What is the InChIKey of 1-iodo-1-methylthiolane?
The InChIKey is ZLWGNHDBDXJTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11IS/c1-7(6)4-2-3-5-7/h2-5H2,1H3.
What are the key properties of 1-iodo-1-methylthiolane?
1-iodo-1-methylthiolane has a molecular weight of 230.11 g/mol, XLogP of 2.56, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-1-methylthiolane is sourced from PubChem (CID 548240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).