2-methyl-1,3-benzothiazole-5-carbaldehyde

2-methyl-1,3-benzothiazole-5-carbaldehyde

CAS: 20061-46-5

Formula: C9H7NOS

SMILES: CC1=NC2=CC(C=O)=CC=C2S1

IUPAC: 2-methyl-1,3-benzothiazole-5-carbaldehyde

InChI: InChI=1S/C9H7NOS/c1-6-10-8-4-7(5-11)2-3-9(8)12-6/h2-5H,1H3

Composition: C (61.00%), H (3.98%), N (7.90%), O (9.03%), S (18.09%)

Molar Mass: 177.22

Atom Count: 19

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	177.024835023
Formal Charge	0
FSP3	0.11
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	PONNYPGVGULWMI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.15
Topological Polar Surface Area	29.96
Polarizability	19.27
Ring Count	2
Rotatable Bond Count	1

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