(2E)-2-(dimethylhydrazinylidene)-1-phenylethanethione

C10H12N2S — CID 15938151

IUPAC(2E)-2-(dimethylhydrazinylidene)-1-phenylethanethione
SMILESCN(C)/N=C/C(=S)c1ccccc1
InChIInChI=1S/C10H12N2S/c1-12(2)11-8-10(13)9-6-4-3-5-7-9/h3-8H,1-2H3/b11-8+
InChIKeyLLJYYLNCYKRPLJ-DHZHZOJOSA-N
MW192.29 g/mol
LogP1.95
Rot. Bonds3

About (2E)-2-(dimethylhydrazinylidene)-1-phenylethanethione

(2E)-2-(dimethylhydrazinylidene)-1-phenylethanethione (PubChem CID 15938151) has the molecular formula C10H12N2S and a molecular weight of 192.29 g/mol. Its IUPAC name is (2E)-2-(dimethylhydrazinylidene)-1-phenylethanethione.

Molecular Properties

Compound Name(2E)-2-(dimethylhydrazinylidene)-1-phenylethanethione
PubChem CID15938151
Molecular FormulaC10H12N2S
Molecular Weight192.29 g/mol
Exact Mass192.07
IUPAC Name(2E)-2-(dimethylhydrazinylidene)-1-phenylethanethione
SMILESCN(C)/N=C/C(=S)c1ccccc1
InChIInChI=1S/C10H12N2S/c1-12(2)11-8-10(13)9-6-4-3-5-7-9/h3-8H,1-2H3/b11-8+
InChIKeyLLJYYLNCYKRPLJ-DHZHZOJOSA-N
XLogP1.95
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.29
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-(dimethylhydrazinylidene)-1-phenylethanethione?
The IUPAC name of (2E)-2-(dimethylhydrazinylidene)-1-phenylethanethione (CID 15938151) is (2E)-2-(dimethylhydrazinylidene)-1-phenylethanethione.
What is the SMILES notation for (2E)-2-(dimethylhydrazinylidene)-1-phenylethanethione?
The canonical SMILES for (2E)-2-(dimethylhydrazinylidene)-1-phenylethanethione is CN(C)/N=C/C(=S)c1ccccc1.
What is the InChIKey of (2E)-2-(dimethylhydrazinylidene)-1-phenylethanethione?
The InChIKey is LLJYYLNCYKRPLJ-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H12N2S/c1-12(2)11-8-10(13)9-6-4-3-5-7-9/h3-8H,1-2H3/b11-8+.
What are the key properties of (2E)-2-(dimethylhydrazinylidene)-1-phenylethanethione?
(2E)-2-(dimethylhydrazinylidene)-1-phenylethanethione has a molecular weight of 192.29 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(dimethylhydrazinylidene)-1-phenylethanethione is sourced from PubChem (CID 15938151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).