CID 118944099

C2H3I2S3- — CID 118944099

IUPAC—
SMILESS=[S-](=S)CC(I)I
InChIInChI=1S/C2H3I2S3/c3-2(4)1-7(5)6/h2H,1H2/q-1
InChIKeyHPLZNBBETDZJHM-UHFFFAOYSA-N
MW377.06 g/mol
LogP1.72
Rot. Bonds2

About CID 118944099

CID 118944099 (PubChem CID 118944099) has the molecular formula C2H3I2S3- and a molecular weight of 377.06 g/mol.

Molecular Properties

Compound NameCID 118944099
PubChem CID118944099
Molecular FormulaC2H3I2S3-
Molecular Weight377.06 g/mol
Exact Mass376.75
IUPAC Name—
SMILESS=[S-](=S)CC(I)I
InChIInChI=1S/C2H3I2S3/c3-2(4)1-7(5)6/h2H,1H2/q-1
InChIKeyHPLZNBBETDZJHM-UHFFFAOYSA-N
XLogP1.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.06
LogP ≤ 51.72
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'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 118944099?
The IUPAC name of CID 118944099 (CID 118944099) is not available.
What is the SMILES notation for CID 118944099?
The canonical SMILES for CID 118944099 is S=[S-](=S)CC(I)I.
What is the InChIKey of CID 118944099?
The InChIKey is HPLZNBBETDZJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3I2S3/c3-2(4)1-7(5)6/h2H,1H2/q-1.
What are the key properties of CID 118944099?
CID 118944099 has a molecular weight of 377.06 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 118944099 is sourced from PubChem (CID 118944099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).