CID 174728686

C3H5NS3 — CID 174728686

IUPAC—
SMILESSS.c1cscn1
InChIInChI=1S/C3H3NS.H2S2/c1-2-5-3-4-1;1-2/h1-3H;1-2H
InChIKeyFUTIYMHHJGLTPR-UHFFFAOYSA-N
MW151.28 g/mol
LogP1.90
Rot. Bonds

About CID 174728686

CID 174728686 (PubChem CID 174728686) has the molecular formula C3H5NS3 and a molecular weight of 151.28 g/mol.

Molecular Properties

Compound NameCID 174728686
PubChem CID174728686
Molecular FormulaC3H5NS3
Molecular Weight151.28 g/mol
Exact Mass150.96
IUPAC Name—
SMILESSS.c1cscn1
InChIInChI=1S/C3H3NS.H2S2/c1-2-5-3-4-1;1-2/h1-3H;1-2H
InChIKeyFUTIYMHHJGLTPR-UHFFFAOYSA-N
XLogP1.90
TPSA12.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.28
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 174728686?
The IUPAC name of CID 174728686 (CID 174728686) is not available.
What is the SMILES notation for CID 174728686?
The canonical SMILES for CID 174728686 is SS.c1cscn1.
What is the InChIKey of CID 174728686?
The InChIKey is FUTIYMHHJGLTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3NS.H2S2/c1-2-5-3-4-1;1-2/h1-3H;1-2H.
What are the key properties of CID 174728686?
CID 174728686 has a molecular weight of 151.28 g/mol, XLogP of 1.90, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174728686 is sourced from PubChem (CID 174728686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).