2-chloro-6-ethoxy-1,3-benzothiazole

2-chloro-6-ethoxy-1,3-benzothiazole

CAS: 79071-17-3

Formula: C9H8ClNOS

SMILES: CCOC1=CC=C2N=C(Cl)SC2=C1

IUPAC: 2-chloro-6-ethoxy-1,3-benzothiazole

InChI: InChI=1S/C9H8ClNOS/c1-2-12-6-3-4-7-8(5-6)13-9(10)11-7/h3-5H,2H2,1H3

Composition: C (50.59%), H (3.77%), Cl (16.59%), N (6.56%), O (7.49%), S (15.00%)

Molar Mass: 213.68

Atom Count: 21

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	213.0015128
Formal Charge	0
FSP3	0.22
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	OJRYLNVGOPEAEP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.37
Topological Polar Surface Area	22.12
Polarizability	21.96
Ring Count	2
Rotatable Bond Count	2

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