CID 162323307

C2H6O3S2 — CID 162323307

IUPAC—
SMILESCC(=O)O.SOS
InChIInChI=1S/C2H4O2.H2OS2/c1-2(3)4;2-1-3/h1H3,(H,3,4);2-3H
InChIKeyHUGOGZMJMUFUBH-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.78
Rot. Bonds

About CID 162323307

CID 162323307 (PubChem CID 162323307) has the molecular formula C2H6O3S2 and a molecular weight of 142.20 g/mol.

Molecular Properties

Compound NameCID 162323307
PubChem CID162323307
Molecular FormulaC2H6O3S2
Molecular Weight142.20 g/mol
Exact Mass141.98
IUPAC Name—
SMILESCC(=O)O.SOS
InChIInChI=1S/C2H4O2.H2OS2/c1-2(3)4;2-1-3/h1H3,(H,3,4);2-3H
InChIKeyHUGOGZMJMUFUBH-UHFFFAOYSA-N
XLogP0.78
TPSA46.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 162323307?
The IUPAC name of CID 162323307 (CID 162323307) is not available.
What is the SMILES notation for CID 162323307?
The canonical SMILES for CID 162323307 is CC(=O)O.SOS.
What is the InChIKey of CID 162323307?
The InChIKey is HUGOGZMJMUFUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O2.H2OS2/c1-2(3)4;2-1-3/h1H3,(H,3,4);2-3H.
What are the key properties of CID 162323307?
CID 162323307 has a molecular weight of 142.20 g/mol, XLogP of 0.78, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162323307 is sourced from PubChem (CID 162323307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).