CID 148714959

C4H9INS- — CID 148714959

IUPAC—
SMILESCC1CSC[I-]N1
InChIInChI=1S/C4H9INS/c1-4-2-7-3-5-6-4/h4,6H,2-3H2,1H3/q-1
InChIKeyYCGVAZJHJPCONS-UHFFFAOYSA-N
MW230.09 g/mol
LogP-2.33
Rot. Bonds

About CID 148714959

CID 148714959 (PubChem CID 148714959) has the molecular formula C4H9INS- and a molecular weight of 230.09 g/mol.

Molecular Properties

Compound NameCID 148714959
PubChem CID148714959
Molecular FormulaC4H9INS-
Molecular Weight230.09 g/mol
Exact Mass229.95
IUPAC Name—
SMILESCC1CSC[I-]N1
InChIInChI=1S/C4H9INS/c1-4-2-7-3-5-6-4/h4,6H,2-3H2,1H3/q-1
InChIKeyYCGVAZJHJPCONS-UHFFFAOYSA-N
XLogP-2.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.09
LogP ≤ 5-2.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 148714959?
The IUPAC name of CID 148714959 (CID 148714959) is not available.
What is the SMILES notation for CID 148714959?
The canonical SMILES for CID 148714959 is CC1CSC[I-]N1.
What is the InChIKey of CID 148714959?
The InChIKey is YCGVAZJHJPCONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9INS/c1-4-2-7-3-5-6-4/h4,6H,2-3H2,1H3/q-1.
What are the key properties of CID 148714959?
CID 148714959 has a molecular weight of 230.09 g/mol, XLogP of -2.33, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 148714959 is sourced from PubChem (CID 148714959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).