azidocarbamodithioic acid

CH2N4S2 — CID 87488727

IUPACazidocarbamodithioic acid
SMILES[N-]=[N+]=NNC(=S)S
InChIInChI=1S/CH2N4S2/c2-4-5-3-1(6)7/h(H2,3,6,7)
InChIKeyFETIENVBVUZEEM-UHFFFAOYSA-N
MW134.19 g/mol
LogP1.02
Rot. Bonds1

About azidocarbamodithioic acid

azidocarbamodithioic acid (PubChem CID 87488727) has the molecular formula CH2N4S2 and a molecular weight of 134.19 g/mol. Its IUPAC name is azidocarbamodithioic acid.

Molecular Properties

Compound Nameazidocarbamodithioic acid
PubChem CID87488727
Molecular FormulaCH2N4S2
Molecular Weight134.19 g/mol
Exact Mass133.97
IUPAC Nameazidocarbamodithioic acid
SMILES[N-]=[N+]=NNC(=S)S
InChIInChI=1S/CH2N4S2/c2-4-5-3-1(6)7/h(H2,3,6,7)
InChIKeyFETIENVBVUZEEM-UHFFFAOYSA-N
XLogP1.02
TPSA60.79 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.19
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

N-azidomethanamine;silane
CID 161044564
N-azido-2,2,2-trifluoroacetamide
CID 54361791
CID 57423931
CID 57423931
(2-diazohydrazinyl)urea
CID 87973262
bis(N-(azidocarbamothioylsulfanyl)-N-(1H-pyrrol-2-yl)carbamodithioate);dioxomolybdenum(2+)
CID 87511248
diazocarbamothioylsulfanyl N-diazocarbamodithioate
CID 23424475
2-(2-diazohydrazinyl)-3-sulfanylpropanoic acid
CID 134588885
[(4-hydroxyphenyl)methylideneamino]carbamodithioic acid
CID 716613
(2R)-2-(2-diazohydrazinyl)propanoic acid
CID 23623073
CID 175225659
CID 175225659
tert-butyl (2S)-2-(2-diazohydrazinyl)propanoate
CID 21122078
carbonotrithioic acid;phosphane
CID 175348280

Frequently Asked Questions

What is the IUPAC name of azidocarbamodithioic acid?
The IUPAC name of azidocarbamodithioic acid (CID 87488727) is azidocarbamodithioic acid.
What is the SMILES notation for azidocarbamodithioic acid?
The canonical SMILES for azidocarbamodithioic acid is [N-]=[N+]=NNC(=S)S.
What is the InChIKey of azidocarbamodithioic acid?
The InChIKey is FETIENVBVUZEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2N4S2/c2-4-5-3-1(6)7/h(H2,3,6,7).
What are the key properties of azidocarbamodithioic acid?
azidocarbamodithioic acid has a molecular weight of 134.19 g/mol, XLogP of 1.02, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azidocarbamodithioic acid is sourced from PubChem (CID 87488727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).