4-methoxy-1,3-benzothiazole-2,6-diamine

4-methoxy-1,3-benzothiazole-2,6-diamine

CAS: 702636-35-9

Formula: C8H9N3OS

SMILES: COC1=C2N=C(N)SC2=CC(N)=C1

IUPAC: 4-methoxy-1,3-benzothiazole-2,6-diamine

InChI: InChI=1S/C8H9N3OS/c1-12-5-2-4(9)3-6-7(5)11-8(10)13-6/h2-3H,9H2,1H3,(H2,10,11)

Composition: C (49.22%), H (4.65%), N (21.52%), O (8.19%), S (16.42%)

Molar Mass: 195.24

Atom Count: 22

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	195.046633096
Formal Charge	0
FSP3	0.12
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	CYICLOPCYFOPRK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.47
Topological Polar Surface Area	74.16
Polarizability	20.39
Ring Count	2
Rotatable Bond Count	1

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