phenyl N-(sulfanylidenemethylidene)sulfamate

C7H5NO3S2 — CID 161172223

IUPACphenyl N-(sulfanylidenemethylidene)sulfamate
SMILESO=S(=O)(N=C=S)Oc1ccccc1
InChIInChI=1S/C7H5NO3S2/c9-13(10,8-6-12)11-7-4-2-1-3-5-7/h1-5H
InChIKeyURIHHXGSXNYUCN-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.41
Rot. Bonds3

About phenyl N-(sulfanylidenemethylidene)sulfamate

phenyl N-(sulfanylidenemethylidene)sulfamate (PubChem CID 161172223) has the molecular formula C7H5NO3S2 and a molecular weight of 215.26 g/mol. Its IUPAC name is phenyl N-(sulfanylidenemethylidene)sulfamate.

Molecular Properties

Compound Namephenyl N-(sulfanylidenemethylidene)sulfamate
PubChem CID161172223
Molecular FormulaC7H5NO3S2
Molecular Weight215.26 g/mol
Exact Mass214.97
IUPAC Namephenyl N-(sulfanylidenemethylidene)sulfamate
SMILESO=S(=O)(N=C=S)Oc1ccccc1
InChIInChI=1S/C7H5NO3S2/c9-13(10,8-6-12)11-7-4-2-1-3-5-7/h1-5H
InChIKeyURIHHXGSXNYUCN-UHFFFAOYSA-N
XLogP1.41
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze phenyl N-(sulfanylidenemethylidene)sulfamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of phenyl N-(sulfanylidenemethylidene)sulfamate?
The IUPAC name of phenyl N-(sulfanylidenemethylidene)sulfamate (CID 161172223) is phenyl N-(sulfanylidenemethylidene)sulfamate.
What is the SMILES notation for phenyl N-(sulfanylidenemethylidene)sulfamate?
The canonical SMILES for phenyl N-(sulfanylidenemethylidene)sulfamate is O=S(=O)(N=C=S)Oc1ccccc1.
What is the InChIKey of phenyl N-(sulfanylidenemethylidene)sulfamate?
The InChIKey is URIHHXGSXNYUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO3S2/c9-13(10,8-6-12)11-7-4-2-1-3-5-7/h1-5H.
What are the key properties of phenyl N-(sulfanylidenemethylidene)sulfamate?
phenyl N-(sulfanylidenemethylidene)sulfamate has a molecular weight of 215.26 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(sulfanylidenemethylidene)sulfamate is sourced from PubChem (CID 161172223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).