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Basic Information
CAS No.: 29515-99-9
Name: 5-(Methylthio)-1H-tetrazole
Article Data: 10
Molecular Structure:
Molecular Structure of 29515-99-9 (5-(Methylthio)-1H-tetrazole)
Formula: C2H4N4S
Molecular Weight: 116.147
Synonyms: 1H-Tetrazole,5-(methylthio)- (8CI,9CI);Tetrazole, 5-(methylthio)- (6CI,7CI);5-(Methylthio)tetrazole;NSC 141852;
Density: 1.48 g/cm3
Melting Point: 149-152 °C(lit.)
Boiling Point: 293.8 °C at 760 mmHg
Flash Point: 131.5 °C
Appearance: White crystals
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38-5
Safety: 26-36-15
PSA: 79.76000
LogP: -0.07840
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Chemistry

Product Name: 5-(Methylthio)-1H-tetrazole (CAS NO.29515-99-9)

Molecular Formula: C2H4N4S
Molecular Weight: 116.14g/mol
Mol File: 29515-99-9.mol
Appearance: White crystals
Melting Point: 149-152 °C(lit.)
Boiling point: 293.8 °C at 760 mmHg
Storage Temperature: Store at 0-5°C
Flash Point: 131.5 °C
Density: 1.48 g/cm3
Index of Refraction: 1.599  Molar Refractivity: 26.71 cm3 
Molar Volume: 78.1 cm3 
Surface Tension: 95 dyne/cm
Enthalpy of Vaporization: 53.34 kJ/mol
Vapour Pressure: 0.00169 mmHg at 25°C
XLogP3-AA: 0.3
H-Bond Donor: 1
H-Bond Acceptor: 3
Structure Descriptors of 5-(Methylthio)-1H-tetrazole (CAS NO.29515-99-9):
  IUPAC Name: 5-methylsulfanyl-2H-tetrazole
  Canonical SMILES: CSC1=NNN=N1
  InChI: InChI=1S/C2H4N4S/c1-7-2-3-5-6-4-2/h1H3,(H,3,4,5,6) 
  InChIKey: ZBXNFTFKKOSPLD-UHFFFAOYSA-N
Product Categories: THIOL; Sulphur Derivatives; Building Blocks; Heterocyclic Building Blocks; Tetrazoles

Safety Profile

Safety Information of 5-(Methylthio)-1H-tetrazole (CAS NO.29515-99-9):
Hazard Codes: XiIrritant
Risk Statements: 36/37/38-5  
R36/37/38:Irritating to eyes, respiratory system and skin.
R5:Heating may cause an explosion
Safety Statements: 26-36-15 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing. 
S15:Keep away from heat.
WGK Germany: 3

Specification

 5-(Methylthio)-1H-tetrazole , its CAS NO. is 29515-99-9, the synonyms are 5-Methylthiotetrazole ; 5-Thiomethyltetrazole ; 1H-Tetrazole, 5-(methylthio)- .