6-(difluoromethoxy)-5-methoxy-1,3-benzothiazol-2-amine

6-(difluoromethoxy)-5-methoxy-1,3-benzothiazol-2-amine

CAS: 1855890-81-1

Formula: C9H8F2N2O2S

SMILES: COC1=C(OC(F)F)C=C2SC(N)=NC2=C1

IUPAC: 6-(difluoromethoxy)-5-methoxy-1,3-benzothiazol-2-amine

InChI: InChI=1S/C9H8F2N2O2S/c1-14-5-2-4-7(16-9(12)13-4)3-6(5)15-8(10)11/h2-3,8H,1H3,(H2,12,13)

Composition: C (43.90%), H (3.27%), F (15.43%), N (11.38%), O (13.00%), S (13.02%)

Molar Mass: 246.23

Atom Count: 24

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	246.027455006
Formal Charge	0
FSP3	0.22
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	HXCKMISEWXCGNR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.24
Topological Polar Surface Area	57.37
Polarizability	21.37
Ring Count	2
Rotatable Bond Count	3

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