thionitrososulfanylbenzene

C6H5NS2 — CID 100919149

IUPACthionitrososulfanylbenzene
SMILESS=NSc1ccccc1
InChIInChI=1S/C6H5NS2/c8-7-9-6-4-2-1-3-5-6/h1-5H
InChIKeyRAQROBCZXJOVEM-UHFFFAOYSA-N
MW155.25 g/mol
LogP2.42
Rot. Bonds2

About thionitrososulfanylbenzene

thionitrososulfanylbenzene (PubChem CID 100919149) has the molecular formula C6H5NS2 and a molecular weight of 155.25 g/mol. Its IUPAC name is thionitrososulfanylbenzene.

Molecular Properties

Compound Namethionitrososulfanylbenzene
PubChem CID100919149
Molecular FormulaC6H5NS2
Molecular Weight155.25 g/mol
Exact Mass154.99
IUPAC Namethionitrososulfanylbenzene
SMILESS=NSc1ccccc1
InChIInChI=1S/C6H5NS2/c8-7-9-6-4-2-1-3-5-6/h1-5H
InChIKeyRAQROBCZXJOVEM-UHFFFAOYSA-N
XLogP2.42
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.25
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of thionitrososulfanylbenzene?
The IUPAC name of thionitrososulfanylbenzene (CID 100919149) is thionitrososulfanylbenzene.
What is the SMILES notation for thionitrososulfanylbenzene?
The canonical SMILES for thionitrososulfanylbenzene is S=NSc1ccccc1.
What is the InChIKey of thionitrososulfanylbenzene?
The InChIKey is RAQROBCZXJOVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NS2/c8-7-9-6-4-2-1-3-5-6/h1-5H.
What are the key properties of thionitrososulfanylbenzene?
thionitrososulfanylbenzene has a molecular weight of 155.25 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for thionitrososulfanylbenzene is sourced from PubChem (CID 100919149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).