azanium N-anilinocarbamodithioate

C7H11N3S2 — CID 3032688

IUPACazanium N-anilinocarbamodithioate
SMILESS=C([S-])NNc1ccccc1.[NH4+]
InChIInChI=1S/C7H8N2S2.H3N/c10-7(11)9-8-6-4-2-1-3-5-6;/h1-5,8H,(H2,9,10,11);1H3
InChIKeyQRYXMAGMGSGSRX-UHFFFAOYSA-N
MW201.32 g/mol
LogP1.81
Rot. Bonds2

About azanium N-anilinocarbamodithioate

azanium N-anilinocarbamodithioate (PubChem CID 3032688) has the molecular formula C7H11N3S2 and a molecular weight of 201.32 g/mol. Its IUPAC name is azanium N-anilinocarbamodithioate.

Molecular Properties

Compound Nameazanium N-anilinocarbamodithioate
PubChem CID3032688
Molecular FormulaC7H11N3S2
Molecular Weight201.32 g/mol
Exact Mass201.04
IUPAC Nameazanium N-anilinocarbamodithioate
SMILESS=C([S-])NNc1ccccc1.[NH4+]
InChIInChI=1S/C7H8N2S2.H3N/c10-7(11)9-8-6-4-2-1-3-5-6;/h1-5,8H,(H2,9,10,11);1H3
InChIKeyQRYXMAGMGSGSRX-UHFFFAOYSA-N
XLogP1.81
TPSA60.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.32
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

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CID 7516
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Phenicarbazide
CID 61002
Ambazone
CID 1549158
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CID 60962
Diazoaminobenzene
CID 8689
(Phenylazo)thioformic acid 2-phenylhydrazide
CID 657262
Carbonothioic dihydrazide, 2,2'-diphenyl-
CID 3032337
1-Methyl-3-phenyl-1-triazene
CID 85248
1-Phenylthiosemicarbazide
CID 2781094
4-Fluorophenylhydrazine hydrochloride
CID 69981
(2,4-Difluoro-phenyl)-hydrazine
CID 588958

Frequently Asked Questions

What is the IUPAC name of azanium N-anilinocarbamodithioate?
The IUPAC name of azanium N-anilinocarbamodithioate (CID 3032688) is azanium N-anilinocarbamodithioate.
What is the SMILES notation for azanium N-anilinocarbamodithioate?
The canonical SMILES for azanium N-anilinocarbamodithioate is S=C([S-])NNc1ccccc1.[NH4+].
What is the InChIKey of azanium N-anilinocarbamodithioate?
The InChIKey is QRYXMAGMGSGSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2S2.H3N/c10-7(11)9-8-6-4-2-1-3-5-6;/h1-5,8H,(H2,9,10,11);1H3.
What are the key properties of azanium N-anilinocarbamodithioate?
azanium N-anilinocarbamodithioate has a molecular weight of 201.32 g/mol, XLogP of 1.81, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azanium N-anilinocarbamodithioate is sourced from PubChem (CID 3032688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).