methyl N-[2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]methanimidothioate

C11H16N4S — CID 53444656

IUPACmethyl N-[2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]methanimidothioate
SMILESCSC=NNN=Cc1ccc(N(C)C)cc1
InChIInChI=1S/C11H16N4S/c1-15(2)11-6-4-10(5-7-11)8-12-14-13-9-16-3/h4-9,14H,1-3H3
InChIKeyNLGUXDQITBWKLM-UHFFFAOYSA-N
MW236.34 g/mol
LogP1.98
Rot. Bonds5

About methyl N-[2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]methanimidothioate

methyl N-[2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]methanimidothioate (PubChem CID 53444656) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is methyl N-[2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]methanimidothioate.

Molecular Properties

Compound Namemethyl N-[2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]methanimidothioate
PubChem CID53444656
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC Namemethyl N-[2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]methanimidothioate
SMILESCSC=NNN=Cc1ccc(N(C)C)cc1
InChIInChI=1S/C11H16N4S/c1-15(2)11-6-4-10(5-7-11)8-12-14-13-9-16-3/h4-9,14H,1-3H3
InChIKeyNLGUXDQITBWKLM-UHFFFAOYSA-N
XLogP1.98
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze methyl N-[2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]methanimidothioate with MolForge

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Related Compounds

1-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3-[[4-(dimethylamino)phenyl]methylideneamino]urea
CID 5355984
N-[2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]methanethioamide
CID 173107987
4-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]-N,N-dimethylaniline
CID 7955579
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-5-methyl-1,3,4-thiadiazol-2-amine
CID 6380909
N'-[[4-(dimethylamino)phenyl]methylideneamino]-N-methyloxamide
CID 4106726
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-N'-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]hexanediamide
CID 92856210
4-[(E)-[(4-methoxyphenyl)hydrazinylidene]methyl]-N,N-dimethylaniline
CID 21238347
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]propanamide
CID 22613567
N-[[4-(dimethylamino)phenyl]methylideneamino]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 2314093
4-[(hexylhydrazinylidene)methyl]-N,N-dimethylaniline
CID 154982727
N-[[4-(dimethylamino)phenyl]methylideneamino]benzenesulfonamide
CID 872082
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]pyridine-4-carboxamide;hydrate
CID 21230438

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]methanimidothioate?
The IUPAC name of methyl N-[2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]methanimidothioate (CID 53444656) is methyl N-[2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]methanimidothioate.
What is the SMILES notation for methyl N-[2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]methanimidothioate?
The canonical SMILES for methyl N-[2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]methanimidothioate is CSC=NNN=Cc1ccc(N(C)C)cc1.
What is the InChIKey of methyl N-[2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]methanimidothioate?
The InChIKey is NLGUXDQITBWKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S/c1-15(2)11-6-4-10(5-7-11)8-12-14-13-9-16-3/h4-9,14H,1-3H3.
What are the key properties of methyl N-[2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]methanimidothioate?
methyl N-[2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]methanimidothioate has a molecular weight of 236.34 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]methanimidothioate is sourced from PubChem (CID 53444656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).