N-Allyl-1H-benzotriazole-1-carbothioamide
[CAS# 690634-06-1]

Identification

• Name: N-Allyl-1H-benzotriazole-1-carbothioamide
• Synonyms: benzotriazolyl(prop-2-enylamino)methane-1-thione; MFCD05149230; N- -1H-BENZOTRIAZOLE-1-CARBO&
• Molecular Formula: C₁₀H₁₀N₄S
• Molecular Weight: 218.28
• CAS Registry Number: 690634-06-1
• SMILES: S=C(n1nnc2ccccc12)NC\C=C
• InChI: 1S/C10H10N4S/c1-2-7-11-10(15)14-9-6-4-3-5-8(9)12-13-14/h2-6H,1,7H2,(H,11,15)
• InChIKey: NEHKVFMFTNUABB-UHFFFAOYSA-N

Properties

• Density: 1.289g/cm³ (Cal.)
• Melting point: 48-50°C (Expl.)
• Boiling point: 354.379°C at 760 mmHg (Cal.)
• Flash point: 168.122°C (Cal.)
• Refractive index: 1.677 (Cal.)

Safety Data

• Safety Description: IRRITANT