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1615-06-1

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Basic Information
CAS No.: 1615-06-1
Name: 1,3-DIHYDRO-2,1,3-BENZOTHIADIAZOLE 2,2-DIOXIDE
Article Data: 10
Molecular Structure:
Molecular Structure of 1615-06-1 (1,3-DIHYDRO-2,1,3-BENZOTHIADIAZOLE 2,2-DIOXIDE)
Formula: C6H6N2O2S
Molecular Weight: 170.192
Synonyms: 1,3-Dihydro-2,1,3-benzothiadiazole2,2-dioxide;1,3-Btdzd;1H,3H-2,1,3-Benzothiadiazole 2,2-dioxide;
Density: 1.452 g/cm3
Melting Point: 181-183 °C
Boiling Point: 345.5 °C at 760 mmHg
Flash Point: 162.8 °C
PSA: 66.58000
LogP: 2.12560
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Chemistry

Molecule structure of 2,1,3-Benzothiadiazole,1,3-dihydro-, 2,2-dioxide (CAS NO.1615-06-1):

IUPAC Name: 1,3-Dihydrobenzo[c][1,2,5]thiadiazole 2,2-dioxide 
Molecular Weight: 170.18904 g/mol
Molecular Formula: C6H6N2O2S 
Density: 1.452 g/cm3 
Boiling Point: 345.5 °C at 760 mmHg
Flash Point: 162.8 °C
Index of Refraction: 1.613
Molar Refractivity: 40.82 cm3
Molar Volume: 117.1 cm3
Surface Tension: 50 dyne/cm 
Enthalpy of Vaporization: 58.96 kJ/mol 
Vapour Pressure: 6.11E-05 mmHg at 25 °C
XLogP3: 1.1
H-Bond Donor: 2
H-Bond Acceptor: 4
Exact Mass: 170.014998
MonoIsotopic Mass: 170.014998
Topological Polar Surface Area: 58.2
Heavy Atom Count: 11
Canonical SMILES: C1=CC=C2C(=C1)NS(=O)(=O)N2
InChI: InChI=1S/C6H6N2O2S/c9-11(10)7-5-3-1-2-4-6(5)8-11/h1-4,7-8H
InChIKey of 2,1,3-Benzothiadiazole,1,3-dihydro-, 2,2-dioxide (CAS NO.1615-06-1): AUAGRMVWKUSEBX-UHFFFAOYSA-N

Specification

 2,1,3-Benzothiadiazole,1,3-dihydro-, 2,2-dioxide (CAS NO.1615-06-1) is also named as 1H,3H-2,1,3-Benzothiadiazole 2,2-dioxide ; 1,3-Btdzd .