methyl N-[(Z)-1-phenylethylideneamino]carbamodithioate

C10H12N2S2 — CID 5391211

IUPACmethyl N-[(Z)-1-phenylethylideneamino]carbamodithioate
SMILESCSC(=S)N/N=C(/C)c1ccccc1
InChIInChI=1S/C10H12N2S2/c1-8(11-12-10(13)14-2)9-6-4-3-5-7-9/h3-7H,1-2H3,(H,12,13)/b11-8-
InChIKeyDAMFAIOELYWARL-FLIBITNWSA-N
MW224.35 g/mol
LogP2.65
Rot. Bonds2

About methyl N-[(Z)-1-phenylethylideneamino]carbamodithioate

methyl N-[(Z)-1-phenylethylideneamino]carbamodithioate (PubChem CID 5391211) has the molecular formula C10H12N2S2 and a molecular weight of 224.35 g/mol. Its IUPAC name is methyl N-[(Z)-1-phenylethylideneamino]carbamodithioate.

Molecular Properties

Compound Namemethyl N-[(Z)-1-phenylethylideneamino]carbamodithioate
PubChem CID5391211
Molecular FormulaC10H12N2S2
Molecular Weight224.35 g/mol
Exact Mass224.04
IUPAC Namemethyl N-[(Z)-1-phenylethylideneamino]carbamodithioate
SMILESCSC(=S)N/N=C(/C)c1ccccc1
InChIInChI=1S/C10H12N2S2/c1-8(11-12-10(13)14-2)9-6-4-3-5-7-9/h3-7H,1-2H3,(H,12,13)/b11-8-
InChIKeyDAMFAIOELYWARL-FLIBITNWSA-N
XLogP2.65
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl N-[(Z)-1-phenylethylideneamino]carbamodithioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-Phenylethylidene)Hydrazinecarbothioamide
CID 5776548
Benzophenone thiosemicarbazide
CID 3001308
1,3,4-Thiadiazole-2-thiol, 5-phenyl-
CID 3035373
[(Z)-1-[4-[(Z)-N-(carbamothioylamino)-C-methyl-carbonimidoyl]phenyl]ethylideneamino]thiourea
CID 5387783
[(Z)-1-(4-methylphenyl)ethylideneamino]thiourea
CID 5354385
Acetophenone-thiosemicarbazone
CID 5359703
[(Z)-1-(4-fluorophenyl)ethylideneamino]thiourea
CID 5397679
[(E)-1-(4-methylphenyl)ethylideneamino]thiourea
CID 7728962
Methyl 2-[1-(4-bromophenyl)ethylidene]hydrazinecarbodithioate
CID 5397321
{[(Methylsulfanyl)methanethioyl]amino}(1-phenylethylidene)amine
CID 5773450
[((1E)-2-phenyl-1-azavinyl)amino]methylthiomethane-1-thione
CID 6789504
[(E)-1-phenylbutylideneamino]thiourea
CID 5717922

Frequently Asked Questions

What is the IUPAC name of methyl N-[(Z)-1-phenylethylideneamino]carbamodithioate?
The IUPAC name of methyl N-[(Z)-1-phenylethylideneamino]carbamodithioate (CID 5391211) is methyl N-[(Z)-1-phenylethylideneamino]carbamodithioate.
What is the SMILES notation for methyl N-[(Z)-1-phenylethylideneamino]carbamodithioate?
The canonical SMILES for methyl N-[(Z)-1-phenylethylideneamino]carbamodithioate is CSC(=S)N/N=C(/C)c1ccccc1.
What is the InChIKey of methyl N-[(Z)-1-phenylethylideneamino]carbamodithioate?
The InChIKey is DAMFAIOELYWARL-FLIBITNWSA-N. The full InChI is InChI=1S/C10H12N2S2/c1-8(11-12-10(13)14-2)9-6-4-3-5-7-9/h3-7H,1-2H3,(H,12,13)/b11-8-.
What are the key properties of methyl N-[(Z)-1-phenylethylideneamino]carbamodithioate?
methyl N-[(Z)-1-phenylethylideneamino]carbamodithioate has a molecular weight of 224.35 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(Z)-1-phenylethylideneamino]carbamodithioate is sourced from PubChem (CID 5391211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).