4-[3-(Methylthio)phenyl]-3-thiosemicarbazide

Base Information

• Chemical Name: 4-[3-(Methylthio)phenyl]-3-thiosemicarbazide
• CAS No.: 76457-80-2
• Molecular Formula: C₈H₁₁N₃S₂
• Molecular Weight: 213.327
• DSSTox Substance ID: DTXSID40375022
• Wikidata: Q82163571
• Mol file: 76457-80-2.mol

Synonyms:4-[3-(Methylthio)phenyl]-3-thiosemicarbazide;76457-80-2;1-amino-3-(3-methylsulfanylphenyl)thiourea;Hydrazinecarbothioamide, N-[3-(methylthio)phenyl]-;SCHEMBL5432263;DTXSID40375022;GUGDJPRCHPSEEF-UHFFFAOYSA-N;AKOS002130888;4-(3-methythiophenyl)-3-thiosemicarbazide;4-(3-methylthiophenyl)-3-thiosemicarbazide;3-amino-1-[3-(methylsulfanyl)phenyl]thiourea;4-[3-(methylthio)-phenyl]-3-thiosemicarbazide;N-[3-(methylthio)phenyl]hydrazinecarbothioamide;A917662;SR-01000102657;SR-01000102657-1

Chemical Property of 4-[3-(Methylthio)phenyl]-3-thiosemicarbazide

Chemical Property:

• Melting Point: 131-137°C
• PSA: 114.51000
• LogP: 2.88030
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 213.03943971
• Heavy Atom Count: 13
• Complexity: 175

Purity/Quality:

97% ^*data from raw suppliers

4-[3-(Methylthio)phenyl]-3-thiosemicarbazide 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC1=CC=CC(=C1)NC(=S)NN

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