nitro N-(sulfanylidenemethylidene)carbamate

C2N2O4S — CID 149152004

IUPACnitro N-(sulfanylidenemethylidene)carbamate
SMILESO=C(N=C=S)O[N+](=O)[O-]
InChIInChI=1S/C2N2O4S/c5-2(3-1-9)8-4(6)7
InChIKeyUDYAQGAZMQKTNQ-UHFFFAOYSA-N
MW148.10 g/mol
LogP0.42
Rot. Bonds1

About nitro N-(sulfanylidenemethylidene)carbamate

nitro N-(sulfanylidenemethylidene)carbamate (PubChem CID 149152004) has the molecular formula C2N2O4S and a molecular weight of 148.10 g/mol. Its IUPAC name is nitro N-(sulfanylidenemethylidene)carbamate.

Molecular Properties

Compound Namenitro N-(sulfanylidenemethylidene)carbamate
PubChem CID149152004
Molecular FormulaC2N2O4S
Molecular Weight148.10 g/mol
Exact Mass147.96
IUPAC Namenitro N-(sulfanylidenemethylidene)carbamate
SMILESO=C(N=C=S)O[N+](=O)[O-]
InChIInChI=1S/C2N2O4S/c5-2(3-1-9)8-4(6)7
InChIKeyUDYAQGAZMQKTNQ-UHFFFAOYSA-N
XLogP0.42
TPSA81.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.10
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of nitro N-(sulfanylidenemethylidene)carbamate?
The IUPAC name of nitro N-(sulfanylidenemethylidene)carbamate (CID 149152004) is nitro N-(sulfanylidenemethylidene)carbamate.
What is the SMILES notation for nitro N-(sulfanylidenemethylidene)carbamate?
The canonical SMILES for nitro N-(sulfanylidenemethylidene)carbamate is O=C(N=C=S)O[N+](=O)[O-].
What is the InChIKey of nitro N-(sulfanylidenemethylidene)carbamate?
The InChIKey is UDYAQGAZMQKTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2N2O4S/c5-2(3-1-9)8-4(6)7.
What are the key properties of nitro N-(sulfanylidenemethylidene)carbamate?
nitro N-(sulfanylidenemethylidene)carbamate has a molecular weight of 148.10 g/mol, XLogP of 0.42, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for nitro N-(sulfanylidenemethylidene)carbamate is sourced from PubChem (CID 149152004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).