2-(2-Methyl-4-oxo-1(4H)-naphthalenylidene)hydrazinecarbothioamide

Base Information

• Chemical Name: 2-(2-Methyl-4-oxo-1(4H)-naphthalenylidene)hydrazinecarbothioamide
• CAS No.: 63690-21-1
• Molecular Formula: C12H11N3OS
• Molecular Weight: 245.3002
• NSC Number: 18340
• DSSTox Substance ID: DTXSID70979991
• Nikkaji Number: J77.783H
• Mol file: 63690-21-1.mol

Synonyms:RTI1205-1-1;54892-67-0;(4E)-2-Methylnaphthoquinone 4-thiosemicarbazone;NSC18340;NSC 18340;63690-21-1;BRN 3307203;2-(2-Methyl-4-oxo-1(4H)-naphthalenylidene)hydrazinecarbothioamide;2-Methyl-1,4-naphthoquinone-1-thiosemicarbazone;Hydrazinecarbothioamide, 2-(2-methyl-4-oxo-1(4H)-naphthalenylidene)-;4-07-00-02430 (Beilstein Handbook Reference);DTXSID70979991;NSC-18340;LS-76539;2-Methyl-4-thiosemicarbazono-1(4H)-naphthalenone;[(E)-(3-methyl-4-oxo-1-naphthylidene)amino]thiourea;2-(3-Methyl-4-oxonaphthalen-1(4H)-ylidene)hydrazine-1-carboximidothioic acid

Chemical Property of 2-(2-Methyl-4-oxo-1(4H)-naphthalenylidene)hydrazinecarbothioamide

Chemical Property:

• Vapor Pressure: 5.09E-07mmHg at 25°C
• Refractive Index: 1.689
• Boiling Point: 412.7°Cat760mmHg
• Flash Point: 203.4°C
• PSA: 99.57000
• Density: 1.36g/cm³
• LogP: 2.45770
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 245.06228316
• Heavy Atom Count: 17
• Complexity: 321

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C2=CC=CC=C2C(=C1)N=NC(=S)N)O