diazocarbamothioylsulfanyl N-diazocarbamodithioate

C2N6S4 — CID 23424475

IUPACdiazocarbamothioylsulfanyl N-diazocarbamodithioate
SMILES[N-]=[N+]=NC(=S)SSC(=S)N=[N+]=[N-]
InChIInChI=1S/C2N6S4/c3-7-5-1(9)11-12-2(10)6-8-4
InChIKeyRWWGCCAQWKCBIW-UHFFFAOYSA-N
MW236.33 g/mol
LogP3.56
Rot. Bonds

About diazocarbamothioylsulfanyl N-diazocarbamodithioate

diazocarbamothioylsulfanyl N-diazocarbamodithioate (PubChem CID 23424475) has the molecular formula C2N6S4 and a molecular weight of 236.33 g/mol. Its IUPAC name is diazocarbamothioylsulfanyl N-diazocarbamodithioate.

Molecular Properties

Compound Namediazocarbamothioylsulfanyl N-diazocarbamodithioate
PubChem CID23424475
Molecular FormulaC2N6S4
Molecular Weight236.33 g/mol
Exact Mass235.91
IUPAC Namediazocarbamothioylsulfanyl N-diazocarbamodithioate
SMILES[N-]=[N+]=NC(=S)SSC(=S)N=[N+]=[N-]
InChIInChI=1S/C2N6S4/c3-7-5-1(9)11-12-2(10)6-8-4
InChIKeyRWWGCCAQWKCBIW-UHFFFAOYSA-N
XLogP3.56
TPSA97.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

N-diazocarbamoyl fluoride
CID 71358879
azidocarbamodithioic acid
CID 87488727
2-azidoprop-2-enal
CID 149436796
2-oxo-2-phenylacetyl azide
CID 54447915
3-azidopropanethioyl chloride
CID 21407749
cis-(1S,2R)-cyclopropane-1,2-dicarbonyl azide
CID 13108219
N-prop-1-en-2-ylethanimidoyl azide
CID 139547217
(E)-but-2-enoyl azide
CID 23443326
(E)-2-azido-4,4-dimethylpent-2-ene
CID 134986194
3-diazo-1-methyl-1-nitrosourea
CID 14478162
Phosphoramidazidothioic O-acid
CID 71446969
2-ethylpropanedioyl diazide
CID 86655983

Frequently Asked Questions

What is the IUPAC name of diazocarbamothioylsulfanyl N-diazocarbamodithioate?
The IUPAC name of diazocarbamothioylsulfanyl N-diazocarbamodithioate (CID 23424475) is diazocarbamothioylsulfanyl N-diazocarbamodithioate.
What is the SMILES notation for diazocarbamothioylsulfanyl N-diazocarbamodithioate?
The canonical SMILES for diazocarbamothioylsulfanyl N-diazocarbamodithioate is [N-]=[N+]=NC(=S)SSC(=S)N=[N+]=[N-].
What is the InChIKey of diazocarbamothioylsulfanyl N-diazocarbamodithioate?
The InChIKey is RWWGCCAQWKCBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C2N6S4/c3-7-5-1(9)11-12-2(10)6-8-4.
What are the key properties of diazocarbamothioylsulfanyl N-diazocarbamodithioate?
diazocarbamothioylsulfanyl N-diazocarbamodithioate has a molecular weight of 236.33 g/mol, XLogP of 3.56, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diazocarbamothioylsulfanyl N-diazocarbamodithioate is sourced from PubChem (CID 23424475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).