azanium N-phenylcarbamodithioate

C7H10N2S2 — CID 3032377

IUPACazanium N-phenylcarbamodithioate
SMILESS=C([S-])Nc1ccccc1.[NH4+]
InChIInChI=1S/C7H7NS2.H3N/c9-7(10)8-6-4-2-1-3-5-6;/h1-5H,(H2,8,9,10);1H3
InChIKeyJSNKIZGODRFYMM-UHFFFAOYSA-N
MW186.31 g/mol
LogP2.31
Rot. Bonds1

About azanium N-phenylcarbamodithioate

azanium N-phenylcarbamodithioate (PubChem CID 3032377) has the molecular formula C7H10N2S2 and a molecular weight of 186.31 g/mol. Its IUPAC name is azanium N-phenylcarbamodithioate.

Molecular Properties

Compound Nameazanium N-phenylcarbamodithioate
PubChem CID3032377
Molecular FormulaC7H10N2S2
Molecular Weight186.31 g/mol
Exact Mass186.03
IUPAC Nameazanium N-phenylcarbamodithioate
SMILESS=C([S-])Nc1ccccc1.[NH4+]
InChIInChI=1S/C7H7NS2.H3N/c9-7(10)8-6-4-2-1-3-5-6;/h1-5H,(H2,8,9,10);1H3
InChIKeyJSNKIZGODRFYMM-UHFFFAOYSA-N
XLogP2.31
TPSA48.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.31
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Phenylthiourea
CID 676454
Diphenylthiourea
CID 700999
N-Methylaniline
CID 7515
1-Allyl-3-phenyl-2-thiourea
CID 1549745
N-Phenylethanethioamide
CID 820777
Hydrazinecarbothioamide, N-phenyl-
CID 730679
1-Methyl-3-phenylthiourea
CID 698294
(2,4-Difluorophenyl)thiourea
CID 2734207
4-Fluorophenylthiourea
CID 693061
1-(p-(Dimethylamino)phenyl)thiourea
CID 2758514
1-Phenyl-3-propyl-2-thiourea
CID 2760408
(3-Fluorophenyl)thiourea
CID 2734799

Frequently Asked Questions

What is the IUPAC name of azanium N-phenylcarbamodithioate?
The IUPAC name of azanium N-phenylcarbamodithioate (CID 3032377) is azanium N-phenylcarbamodithioate.
What is the SMILES notation for azanium N-phenylcarbamodithioate?
The canonical SMILES for azanium N-phenylcarbamodithioate is S=C([S-])Nc1ccccc1.[NH4+].
What is the InChIKey of azanium N-phenylcarbamodithioate?
The InChIKey is JSNKIZGODRFYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NS2.H3N/c9-7(10)8-6-4-2-1-3-5-6;/h1-5H,(H2,8,9,10);1H3.
What are the key properties of azanium N-phenylcarbamodithioate?
azanium N-phenylcarbamodithioate has a molecular weight of 186.31 g/mol, XLogP of 2.31, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azanium N-phenylcarbamodithioate is sourced from PubChem (CID 3032377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).