CID 146855356

C3H6IO3S- — CID 146855356

IUPAC—
SMILESO=S1(=O)CCC[I-]O1
InChIInChI=1S/C3H6IO3S/c5-8(6)3-1-2-4-7-8/h1-3H2/q-1
InChIKeyUGSGPGQSJVJJMZ-UHFFFAOYSA-N
MW249.05 g/mol
LogP-3.26
Rot. Bonds

About CID 146855356

CID 146855356 (PubChem CID 146855356) has the molecular formula C3H6IO3S- and a molecular weight of 249.05 g/mol.

Molecular Properties

Compound NameCID 146855356
PubChem CID146855356
Molecular FormulaC3H6IO3S-
Molecular Weight249.05 g/mol
Exact Mass248.91
IUPAC Name—
SMILESO=S1(=O)CCC[I-]O1
InChIInChI=1S/C3H6IO3S/c5-8(6)3-1-2-4-7-8/h1-3H2/q-1
InChIKeyUGSGPGQSJVJJMZ-UHFFFAOYSA-N
XLogP-3.26
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.05
LogP ≤ 5-3.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-oxa-2λ6-thiacycloundecane 2,2-dioxide
CID 140634565
1-oxa-2λ6-thiacyclooctadecane 2,2-dioxide
CID 154094068
cyclobutane;vanadium
CID 161008409
ethane;thiepane 1,1-dioxide
CID 91582088
ethane;thiane 1,1-dioxide;thiolane 1,1-dioxide
CID 162069522
6-fluorooxathiepane 2,2-dioxide
CID 89251329
7lambda6,14lambda6-dithiadispiro[5.1.58.16]tetradecane 7,7,14,14-tetraoxide
CID 15184645
7-oxa-8λ6-thiaspiro[4.5]decane 8,8-dioxide
CID 166880650
4-deuteriooxathiane 2,2-dioxide
CID 175841659
1-methylidenethietane 1-oxide
CID 87945403
CID 174946982
CID 174946982
(1S,7S)-13λ6-thiatricyclo[5.4.3.01,7]tetradeca-8,10-diene 13,13-dioxide
CID 98162129

Frequently Asked Questions

What is the IUPAC name of CID 146855356?
The IUPAC name of CID 146855356 (CID 146855356) is not available.
What is the SMILES notation for CID 146855356?
The canonical SMILES for CID 146855356 is O=S1(=O)CCC[I-]O1.
What is the InChIKey of CID 146855356?
The InChIKey is UGSGPGQSJVJJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6IO3S/c5-8(6)3-1-2-4-7-8/h1-3H2/q-1.
What are the key properties of CID 146855356?
CID 146855356 has a molecular weight of 249.05 g/mol, XLogP of -3.26, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 146855356 is sourced from PubChem (CID 146855356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).