2,1,3-benzothiadiazole-5-carbaldehyde

2,1,3-benzothiadiazole-5-carbaldehyde

CAS: 71605-72-6

Formula: C7H4N2OS

SMILES: O=CC1=CC2=NSN=C2C=C1

IUPAC: 2,1,3-benzothiadiazole-5-carbaldehyde

InChI: InChI=1S/C7H4N2OS/c10-4-5-1-2-6-7(3-5)9-11-8-6/h1-4H

Composition: C (51.21%), H (2.46%), N (17.06%), O (9.74%), S (19.53%)

Molar Mass: 164.18

Atom Count: 15

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	164.004433931
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	GEFIFDVQYCPLHC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.12
Topological Polar Surface Area	42.85
Polarizability	16.69
Ring Count	2
Rotatable Bond Count	1

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